SCHEMBL8616459

SCHEMBL8616459

CCC(C)(O)CC(C)CO.CCC(O)CCCO

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 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
SCHEMBL5907194 0.80 TSHR (0.40) TSHR
SCHEMBL12011204 0.74
SCHEMBL13894349 0.74
SCHEMBL36865 0.74
SCHEMBL25413159 0.73 ACE2 (0.35) TSHR
SCHEMBL8605479 0.73 ALDH1A1 (0.34) TSHR
Glycerin SCHEMBL27473466 0.72 LMNA (0.45) TSHR
1,4-Butanediol SCHEMBL27601018 0.72 SMN1; SMN2 (0.43) TSHR
SCHEMBL15456164 0.72 TSHR (0.43) TSHR
SCHEMBL8370918 0.71 PSMD14 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839179-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-05-06 EP claimed
WO-1997003170-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO claimed