Searching analogs to compounds with the known activity is helpful in hit expansion and repurposing projects. ChEMBL database has become an important reference tool containing information on binding, ADME/T, and pharmacologics of small molecules.
From our Screening collection, we have selected the in-stock compounds similar to the know actives from ChEMBL (Tanimoto similarity coefficient 0.6 and higher, Morgan 2 fingerprints, 1024 bit), ChEMBL analogs. Additionally, we have prepared a library of ChEMBL actives as a separate set (in-stock available).
You can download both sets from the website. For make-on-demand ChEMBL actives and ChEMBL analogs, please contact us at firstname.lastname@example.org.