SCHEMBL8728883

SCHEMBL8728883

C=C(COCC(C)C)COCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL6848509 0.81
SCHEMBL24794964 0.79
SCHEMBL11812287 0.79
SCHEMBL11129625 0.76
SCHEMBL5222623 0.74
SCHEMBL18294831 0.74 TSHR (0.42) TSHRALDH1A1
SCHEMBL18294834 0.74 TSHR (0.33) TSHR
SCHEMBL181244 0.72 TSHR (0.41) TSHRALDH1A1
Methyl Alcohol SCHEMBL28414164 0.72 ALDH1A1 (0.38) TSHRALDH1A1
SCHEMBL24856 0.71

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-0609058-B1 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1998-12-09 EP disclosed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP disclosed