SCHEMBL6444866

SCHEMBL6444866

CC(C)C(OC(=O)OC1CCC(OC(=O)OC(C(C)C)C(C)C)CC1)C(C)C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.30

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
SCHEMBL6896817 0.92 EPHX1 (0.39) CYP19A1
SCHEMBL6897065 0.90 EPHX1 (0.42) CYP19A1
SCHEMBL12863919 0.85 SCN1A (0.43)
SCHEMBL6445808 0.84 SERPINE1 (0.37) CYP19A1
SCHEMBL1083473 0.82 TSHR (0.40) CYP19A1
SCHEMBL3483142 0.82 TSHR (0.40) CYP19A1
SCHEMBL12306249 0.79 CYP19A1 (0.32) CYP19A1
SCHEMBL30313871 0.78 MEN1 (0.31) CYP19A1
SCHEMBL12863916 0.77 ACACB (0.37)
SCHEMBL1080980 0.77 TSHR (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194396-B1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AG (DE) 2005-11-09 EP claimed
EP-1194396-B1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AG (DE) 2005-11-09 EP disclosed
EP-1194396-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-04-10 EP disclosed
WO-2000078704-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed