Patent Space Exploration: an application of Markush structure enumeration and search
ChemAxon and Thomson Reuters have recently concluded a partnership to enable storage and search and advanced visualization of Thomson Reuters content, involving the Merged Markush Service (MMS) database, in relation to the Derwent World Patent Index (DWPI) and Derwent Chemistry Resource (DCR).An analysis of ChemAxon’s Markush selective and random enumeration and search capabilities is presented. The analysis, illustrated by reference to specific examples, provides detailed comments under the broad headings of database content, system, reduction of Markush structures, hit alignment and coloring. The current technology supports not only chemists but patent professionals to understand and explore patent space and ultimately devise a way to avoid covered regions of chemical space. Moreover, this is the first time when Markush records of an extensive patent Markush database are available for in-house analysis by cheminformatics tools.