SCHEMBL8624684

SCHEMBL8624684

CC(C)C(O)CC(C)(O)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL15190350 0.79 TSHR (0.43) TSHRALDH1A1CYP2C19
SCHEMBL1921516 0.78 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL8605751 0.78 MAPK1 (0.36) TSHRALDH1A1CYP2C19
SCHEMBL10024523 0.75 ALDH1A1 (0.37) TSHRALDH1A1CYP2C19
SCHEMBL10297574 0.75 TSHR (0.36) TSHR
SCHEMBL2017196 0.74 ALDH1A1 (0.32) ALDH1A1CYP2C19
SCHEMBL11386317 0.73 TRPV1 (0.34)
SCHEMBL18759626 0.72 TSHR (0.36) TSHRALDH1A1CYP2C19
SCHEMBL1784360 0.72 TSHR (0.36) TSHR
SCHEMBL24710053 0.70 TSHR (0.33) TSHR

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