SCHEMBL17995461

SCHEMBL17995461

C=C1CCC2(CCCC(CC)C2=O)O1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33

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
SCHEMBL8053904 0.68 CYP19A1 (0.39) CYP19A1
SCHEMBL4740694 0.66 CYP19A1 (0.35) CYP19A1
SCHEMBL1082427 0.61 CYP19A1 (0.35) CYP19A1
SCHEMBL25230993 0.58 CYP19A1 (0.36) CYP19A1
SCHEMBL2689519 0.58
SCHEMBL21006006 0.58
SCHEMBL15198303 0.58
SCHEMBL2691629 0.57 NOS3 (0.40) CYP19A1
SCHEMBL15657284 0.57 NOS3 (0.36) CYP19A1
SCHEMBL13576612 0.57

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016125782-A1 NOVEL ALICYCLIC ESTER COMPOUND, (METH)ACRYLIC COPOLYMER, AND FUNCTIONAL RESIN COMPOSITION CONTAINING SAME 三菱瓦斯化学株式会社 2016-08-11 WO disclosed