SCHEMBL8401595

SCHEMBL8401595

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

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.39
TRPA1 O75762 2/20 0.38
ALDH1A1 P00352 1/20 0.30
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
SCHEMBL5797146 0.95 TDP1 (0.38) TDP1TSHRTRPA1
SCHEMBL4454978 0.79 TSHR (0.41) TDP1TSHRTRPA1
SCHEMBL5372254 0.79 TSHR (0.41) TDP1TSHRTRPA1
SCHEMBL28094194 0.78 TRPA1 (0.42) TDP1TSHRTRPA1ALDH1A1
SCHEMBL45749 0.77
SCHEMBL1328939 0.77
SCHEMBL10686170 0.77 TSHR (0.46) TDP1TSHRTRPA1ALDH1A1LMNA
SCHEMBL1660110 0.77 TSHR (0.42) TSHR
SCHEMBL13979738 0.77 TSHR (0.42) TSHR
SCHEMBL15205828 0.76 TSHR (0.40) TDP1TSHRTRPA1LMNA

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 26 patents — showing the first 20. 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 claimed
CN-1098350-C Fabric softening compound/composition PROCTER & GAMBLE (US) 2003-01-08 CN claimed
CN-1244212-A Improved expression vectors PROCTER & GAMBLE (US) 2000-02-09 CN claimed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN claimed
CN-1196081-A Concentrated, water dispersible, stable, fabric softening compositions PROCTER & GAMBLE (US) 1998-10-14 CN claimed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN claimed
EP-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP claimed
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
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO claimed
CN-1110541-C Concentrated water-dispersible stable fiber softener compositions PROCTER & GAMBLE (US) 2003-06-04 CN disclosed
CN-1098350-C Fabric softening compound/composition PROCTER & GAMBLE (US) 2003-01-08 CN disclosed
CN-1272133-A Concentrated, stable, preferably clear, fabric softening compositions containing amine fabric softeners PROCTER & GAMBLE (US) 2000-11-01 CN disclosed
CN-1263552-A softener actives derived from acylated triethanolamine PROCTER & GAMBLE (US) 2000-08-16 CN disclosed
CN-1244212-A Improved expression vectors PROCTER & GAMBLE (US) 2000-02-09 CN disclosed
WO-1998017756-A1 CONCENTRATED FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-04-30 WO disclosed
WO-1998017750-A1 CONCENTRATED, FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-04-30 WO disclosed
WO-1998002513-A1 SUBSTANTIALLY ODOR-FREE POLYHYDROXYL SOLVENTS THE PROCTER & GAMBLE COMPANY (US) 1998-01-22 WO disclosed
WO-1997003170-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed