SCHEMBL8719042

SCHEMBL8719042

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

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL5907112 0.84 ALDH1A1 (0.45) ALDH1A1
SCHEMBL5907073 0.79 TSHR (0.42)
SCHEMBL27430612 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8623972 0.75 ALDH1A1 (0.36) ALDH1A1
SCHEMBL11264800 0.73 ALDH1A1 (0.43) ALDH1A1
SCHEMBL10257119 0.72 ALDH1A1 (0.53) ALDH1A1
SCHEMBL5702211 0.71 ALDH1A1 (0.41) ALDH1A1
SCHEMBL8722114 0.71 TSHR (0.36) ALDH1A1
Acrylic Acid SCHEMBL21777108 0.69 LMNA (0.36) ALDH1A1
SCHEMBL12332692 0.69 ALDH1A1 (0.43) 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