SCHEMBL8530500

SCHEMBL8530500

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL9488071 0.80 TSHR (0.38) TSHRTDP1ALDH1A1
SCHEMBL672974 0.75 TSHR (0.33) TSHRTDP1ALDH1A1
SCHEMBL12028633 0.75 TSHR (0.35) TSHRTDP1
SCHEMBL12239356 0.71 TSHR (0.35) TSHRTDP1ALDH1A1
SCHEMBL23440544 0.71 TSHR (0.30) TSHRTDP1
SCHEMBL4366160 0.69 ALDH1A1 (0.35) ALDH1A1
SCHEMBL6570682 0.69
SCHEMBL1091205 0.69
SCHEMBL1807740 0.69
SCHEMBL7309616 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1436890-A Concentrated & stable fabric softening composition containing chelant PROCTER & GAMBLE (US) 2003-08-20 CN disclosed
CN-1107716-C Concentrated stable fabric softening compositions comprising chelants PROCTER & GAMBLE (US) 2003-05-07 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
CN-1038504-C Cyclopentane derivatives SHELL INT RESEARCH (NL) 1998-05-27 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-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
WO-1997003172-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITIONS INCLUDING CHELANTS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed
CN-1042349-A CYCLOPENTANE DERIVATIVES SHELL INT RESEARCH (NL) 1990-05-23 CN disclosed