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Home Compound Library Sets ChEMBL analogs

ChEMBL analogs



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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 an 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 info@chem-space.com.

N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(phenylsulfanyl)oxan-3-yl]acetamide
CSC027602041
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4-phenyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one
CSC026138203
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2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CSC046146096
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4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1H-pyrazol-1-ylmethyl)morpholine
CSC027202098
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