SCHEMBL8719667

SCHEMBL8719667

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
TRPA1 O75762 1/20 0.35
LMNA P02545 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
SCHEMBL7847549 0.87 TDP1 (0.38) ALDH1A1TRPA1LMNA
SCHEMBL10527774 0.87 TDP1 (0.38) ALDH1A1ALOX15LMNA
SCHEMBL13210551 0.82
SCHEMBL4879561 0.82 ALDH1A1 (0.46) ALDH1A1ALOX15TRPA1LMNA
SCHEMBL7712324 0.82 ALDH1A1 (0.46) ALDH1A1ALOX15TRPA1
SCHEMBL342469 0.82
SCHEMBL25416195 0.80 TRPA1 (0.43) ALDH1A1ALOX15TRPA1LMNA
SCHEMBL62567 0.80
SCHEMBL5351556 0.80
SCHEMBL9436176 0.80 TSHR (0.37) ALDH1A1

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