SCHEMBL1614441

SCHEMBL1614441

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
TRPA1 O75762 2/20 0.37
PRKCA P17252 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
SCHEMBL1614889 0.82 TSHR (0.50) TSHRTDP1TRPA1PRKCA
SCHEMBL903728 0.82
SCHEMBL25260304 0.81 TSHR (0.37) TSHRTDP1TRPA1
SCHEMBL18124714 0.81 TSHR (0.37) TSHRTDP1TRPA1PRKCA
SCHEMBL14284903 0.81 TSHR (0.37) TSHRTDP1TRPA1PRKCA
SCHEMBL10290190 0.81 TSHR (0.37) TSHRTDP1TRPA1PRKCA
SCHEMBL28098330 0.79 TSHR (0.35) TSHRTDP1
Ammonia Solution, Strong SCHEMBL28480131 0.79 TSHR (0.47) TSHRTDP1PRKCA
SCHEMBL18124715 0.77 TSHR (0.48) TSHRTDP1
SCHEMBL15044042 0.75 TDP1 (0.42) TSHRTDP1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20110086975-A1 COLORED GEL COAT COMPOSITION AND ARTICLE VALSPAR SOURCING, INC. 2011-04-14 US disclosed
US-20060058216-A1 Concentrated, stable, preferably clear, fabric softening composition TRINH TOAN 2006-03-16 US disclosed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN disclosed
EP-0888424-A1 FABRIC SOFTENING COMPOUND/COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 EP disclosed
CN-1196082-A Concentrated stable fabric softening compositions comprising chelants PROCTER & GAMBLE (US) 1998-10-14 CN disclosed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN disclosed
EP-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP 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-1997034972-A1 FABRIC SOFTENING COMPOUND/COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-09-25 WO 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
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed