SCHEMBL19626014

SCHEMBL19626014

CCC1CC2C(CCC3(C)C(CCCC#N)CCC23)C2(C)CCC(=O)C=C12

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 20/20 0.68

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19626021 0.95 CYP19A1 (0.68) CYP19A1
SCHEMBL23223044 0.95 CYP19A1 (0.68) CYP19A1
SCHEMBL26860426 0.84 CYP19A1 (0.63) CYP19A1
SCHEMBL13046032 0.82 CYP19A1 (0.72) CYP19A1
SCHEMBL3744536 0.82 CYP19A1 (0.72) CYP19A1
SCHEMBL23514191 0.82 AR (0.46) CYP19A1
SCHEMBL19634768 0.82 CYP19A1 (0.66) CYP19A1
SCHEMBL20925993 0.82 CYP19A1 (0.66) CYP19A1
SCHEMBL23638378 0.82 CYP17A1 (0.64) CYP19A1
SCHEMBL29890992 0.82 CYP17A1 (0.64) CYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3848382-A1 INTERMEDIATES FOR THE SYNTHESIS OF BILE ACID DERIVATIVES, IN PARTICULAR OF OBETICHOLIC ACID NZP UK Limited (GB) 2021-07-14 EP disclosed
EP-3458469-B1 INTERMEDIATES FOR THE SYNTHESIS OF BILE ACID DERIVATIVES, IN PARTICULAR OF OBETICHOLIC ACID NZP UK LTD (GB) 2021-04-14 EP disclosed
WO-2017199033-A1 INTERMEDIATES FOR THE SYNTHESIS OF BILE ACID DERIVATIVES, IN PARTICULAR OF OBETICHOLIC ACID NZP UK Limited (GB) 2017-11-23 WO disclosed