MDL Patent Chemistry Database - AKos GmbH

1 Patent Chemistry DatabaseChemical reactions and substance data for scientistsPowerful searching, experimental details onyour desktopWhile much information on synthetic Chemistry is publishedin journals, many novel substances, chemical reactions andprocesses appear only in Patent documents. This makespatent databases a key information source in chemistryand life sciences research. Structure-based searching is apowerful and flexible way to mine highly relevant informa-tion from this vast source of MDL Patent Chemistry Database is structure-search-able and designed specifically for research scientists. Itcontains chemical reactions together with their completeexperimental text from the Patent document, as well as organic, inorganic, organometallic and polymeric*compounds and associated data. These are taken fromWorld and European organic Chemistry and life sciencepatent publications since 1978, and Patent publicationssince 1976.

2 The MDL Patent Chemistry Database can beused to search for substances, develop drug profiles,select and optimize leads, design new synthetic methodsand monitor competitor activities and industry every two weeks, the MDL Patent ChemistryDatabase can be searched via MDL CrossFire Commander and DiscoveryGate Chemistry Database highlights Displays Markush structures*, Markush reactions* and fullclaim text together Excerpts specific substances with data, as well asprophetic substances Provides the full experimental text from the Patent document in addition to the reaction scheme Contains substances with their bioactivity data andallows exporting to create structure-activity relationshiptablesChemical reactions and substance data for scientistsFinding reactions, substances and associated information in Patent literature is an essential part of lead discovery.

3 Expedite these essential searches with the structure-searchable MDL Patent ChemistryDatabase, which provides access to over 28 years of organic Chemistry and life science Patent ClassesC07 Organic ChemistryA01N Biocides, agrochemicals, disinfectantsA61K Medicinal, dental, toilet preparationsC09B Dyes and related compoundsPatent CitationsPatent DataInventor, AssigneeTitle, Abstract ClaimMarkush Structure Display*Cited PatentsReactionsReaction SchemeExample TextReaction ConditionsInfoChem ClassCodesMarkush Reaction Display*CompoundsProphetic CompoundsMeasured Numerical Bioactivity Data*Application Data*Formulation*Metabolism, Toxicological Data*Physical/Spectral DataMarkush Structure Display** Available from Patent publications published beginning December 2003. Prophetic compounds are Patent -relevant compounds. The inventor states that they can beprepared analogously to described methods but gives no data (yield, physical properties,etc.)

4 Typically, prophetic compounds can only be found as representatives of a generic struc-ture from a Markush structure PATENTCHEMISTRYDATABASEI ntegration with other databasesMDL Patent Chemistry Database is integrated into DiscoveryGate, which allows researchersto use structure and text searches to explore Patent information across a variety of integratedand complementary information sources such as Derwent Chemistry Resource/World Patents Index or MDL Drug Data Report. All DiscoveryGate reaction databases are indexedwith InfoChem Patent Chemistry Database Integration on DiscoveryGateReactions in MDL Patent Chemistry Database and all other DiscoveryGate reaction databases are processed withInfoChem s CLASSIFY. This reaction classification algorithmcategorizes reactions according to the type of chemical transformation they represent. Link to similar reactions in other DiscoveryGate reaction databases, Integrated Major Reference Works orChemInform Reaction Library Group similar reactions Facilitate query formulations (Transformation Searches)

5 Find similar reactions in other MDL databasesSupplier, Logistics & Safety InformationMDL Available Chemicals DirectoryMDL Screening Compounds DirectoryMDL OHS databasesPatent InformationDerwent World Patent IndexCrossFire BeilsteinMDL Drug Data ReportMDL Patent Chemistry DatabaseChemistry ReferenceCrossFire Beilstein CrossFire Gmelin ISI Index ChemicusMDL Patent Chemistry DatabaseOHS Pure Substance MSDS DatabaseBioactivity DataCrossFire Beilstein MDL Comprehensive Medicinal Chemistry MDL Drug Data ReportMDL Metabolite DatabaseMDL Patent Chemistry DatabaseMDL Toxicity DatabaseNational Cancer Institute DatabasesxPharm Synthesis DataCrossFire BeilsteinChemInform Reaction LibraryCurrent Synthetic MethodologyDerwent Journal of Synthetic MethodsIntegrated Major References WorksISI Current Chemical ReactionsMDL Reference Library of Synthetic MethodologyMDL Patent Chemistry Database MDL Solid-Phase Organic

6 ReactionsORGSYN DatabaseExperimental Section: Almost all reactions have the full experimental section from the Patent ClassCodes: This reaction classification enables integrated searches across all DiscoveryGate reaction databases and IntegratedMajor Reference Data: Measured data including peak values and other physical data, , logP, are often given for Details: Specific conditions are in separate data hit set from a search using MDL Database Browser Compound Identifier*: Compound number used in the Patent documentBioactivity Data*: Searchable numerical data (EC50, IC50, LD50, etc.) plus details about bioassay and species usedLocation in Patent *: Page where data appear in the Patent documentSubstance hit set from a search using MDL Database Browser21234143112323* Available from Patent publications published beginning December chemical reactionsBy providing access to Patent reaction data in an easy-to-search format interlinked to other important informationsources, the MDL Patent Chemistry Database helps youdevelop effective synthesis plans based on a wider view of known effective synthesis planning Provides the complete experimental section from thepatent document Displays Markush* structures and reactions from thepatent claim and Patent description Interlinks, via Infochem ClassCodes, to ChemInformReaction Library.

7 Integrated Major Reference Worksand other databases Summarizes all data for a given reaction derived fromdifferent Patent documentsFind substances and their dataIt is crucial to find the gaps in Patent coverage for chemicalprocesses, substances and their applications. Especially inthe life sciences, researchers must compile comprehensivesubstance data sets for developing bioactivity profiles,selecting and optimizing leads or designing combinatoriallibraries. By combining structural, text and numerical patentdata with powerful visualization tools, the MDL PatentChemistry Database helps you to quickly acquire anoverview of compound and bioactivity bioactivity profiling Provides searchable substance data including applicationand bioactivity data*, formulation*, spectral data (NMR, IR,UV, MS) including peak values and physical property data( , logP)* Exports structures and their numerical bioactivity data into a tabular form, providing a clearly arranged structure-activity-relationship table Includes both defined and prophetic substances Displays Markush structures* Lists defined substances that are representatives of agiven Markush formula and have been correlated to it* Collects all information for a given substance derived fromdifferent Patent documents into one profileMDL PATENTCHEMISTRYDATABASEP atent Family Members: Table lists main Patent equivalents of a Patent family (including the designated states for World and European patents*) with each Patent number linked to the original Patent Text: Complete claim text is Structure Display: The claim text is displayed together with the main cited Markush structures and reactions.

8 *Citation hit set from a search using MDL CrossFire Commander related to Markush*: "Referencing Compounds" lists defined compounds that have been correlated to the given Markush Markush*: Markush structures are displayed schematically. Click on the Markush structure window to show the structure along with the meaning of all substituents. (Markush structuresare not searchable.)Markush structure display using MDL CrossFire Commander Patent citationsQuickly understanding the scope and relevance of patentsenables you to save time, effort and money by avoidingpatented compounds, reactions and processes. By bringingclaim texts and Markush structures/reactions to the desktopin an easy-to-view format, the MDL Patent ChemistryDatabase helps you check the relevance of Patent documentsquickly and easily. The Patent Chemistry Database coversmore than 360,000 Patent publications (World and Europeansince 1978, since 1976) and is updated every two weekswith the most current relevance checking Displays Markush structures*, Markush reactions* andEnglish-language claim text in addition to title andabstract for an easy-to-read display Appends indexed chemical structures and reactionschemes to the claim text Lists main Patent family members ( Patent equivalents)

9 Under Publication/Application Data Links to Patent full-text document providers includingEspaceNet, US Patent Server and DelphionDisplay Markush structures and reactionsDisplaying a specific Markush structure together with itsrelated defined substances the Markush Family gives a better understanding of the Patent understanding of the claim Displays main Markush structures* from the claim textand Patent description*. Substituents have the samesymbols as in the Patent full-text. Displays defined substances with their associatedMarkush * Available from Patent publications published beginning December competitor watchMDL Patent Chemistry Database is aneffective tool both for investigating patentliterature from the past and for continuousmonitoring of competitors R&D alertsOnce you have defined a specific query,an email query alert service automaticallyinforms you of query hits relevant to yourresearch at a frequency that you choose(every two weeks, monthly, etc.)

10 As the Database is updated every twoweeks, user-defined alerts will retrieveimportant new information on a alert resultsOnly the owner of the alert can view thealert results. However, you can share yourresults with colleagues by exporting youralert strategy and emailing it to them forimplementation on their own : At this time, the alert service is available only in CrossFire Commander access to chemistrypatent literatureFor fast, efficient access to chemistrypatent literature, the structure-searchableMDL Patent Chemistry Database offersyou the resources and tools to find theinformation you need quickly and every two weeks with in-depthinformation on chemical reactions,processes, substances and citations, theMDL Patent Chemistry Database is theessential first step in lead more information about theMDL Patent Chemistry Database ,please contact an Elsevier MDLA ccount Manager or , DiscoveryGate, Integrated Major Reference Works and Powering the Process of Invention are registered trademarks ortrademarks of MDL Information Systems, Inc.