SCHEMBL8529153

SCHEMBL8529153

CCC(C)(O)C(O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL31544649 0.78 TRPA1 (0.34) TSHRTRPA1ALDH1A1TDP1
SCHEMBL825422 0.77
SCHEMBL11386315 0.76 TSHR (0.38) TSHRALDH1A1
SCHEMBL14436290 0.76 TRPA1 (0.33) TSHRTRPA1ALDH1A1
SCHEMBL14401846 0.74 TRPA1 (0.45) TSHRTRPA1ALDH1A1TDP1
SCHEMBL10773007 0.74 TRPA1 (0.45) TSHRTRPA1ALDH1A1TDP1
SCHEMBL28789538 0.74 TRPA1 (0.32) TSHRTRPA1ALDH1A1TDP1
SCHEMBL13354747 0.73
SCHEMBL1490142 0.73
SCHEMBL13312865 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1110541-C Concentrated water-dispersible stable fiber softener compositions PROCTER & GAMBLE (US) 2003-06-04 CN disclosed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN disclosed
CN-1196082-A Concentrated stable fabric softening compositions comprising chelants PROCTER & GAMBLE (US) 1998-10-14 CN disclosed
EP-0839179-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-05-06 EP disclosed
EP-0839180-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITIONS INCLUDING CHELANTS THE PROCTER & GAMBLE COMPANY (US) 1998-05-06 EP disclosed
US-5747443-A BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-05-05 US disclosed
WO-1997003170-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed
WO-1997003172-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITIONS INCLUDING CHELANTS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed