SCHEMBL8722114

SCHEMBL8722114

CC(O)CCCC(C)(C)O.CCC(O)CCC(C)O

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL11264800 0.87 ALDH1A1 (0.43) TSHRALDH1A1
SCHEMBL8414663 0.87 ALDH1A1 (0.47) TSHRALDH1A1
SCHEMBL5801785 0.87 ALDH1A1 (0.47) TSHRALDH1A1
SCHEMBL7889364 0.82 ALDH1A1 (0.43) TSHRALDH1A1
SCHEMBL429359 0.82
SCHEMBL14852798 0.81 ACACB (0.47) TSHRALDH1A1
SCHEMBL9853858 0.80 ALDH1A1 (0.41) ALDH1A1
SCHEMBL8316103 0.80 ALDH1A1 (0.41) ALDH1A1
SCHEMBL5907112 0.80 ALDH1A1 (0.45) TSHRALDH1A1
SCHEMBL9775375 0.79 TSHR (0.50) TSHRALDH1A1

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-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP claimed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO claimed