Data-mining patent literature for novel chemical reagents for use in medicinal chemistry design

Abstract

The properties of any molecule are fixed at the point of design. Since reliance on commercially available reagents sets to probe SAR relationships may result in incomplete interrogation of property space, efforts to pursue novel proprietary reagent collections are of clear benefit. One such approach based on fragmentation and analysis of molecules described in patent and medicinal chemistry literature is described, highlighting an example of key secondary amines with potential for broad applicability across medicinal chemistry.