SCHEMBL8032199

SCHEMBL8032199

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

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3672104 0.88 TSHR (0.35) TSHRTDP1MAPK1
SCHEMBL27822350 0.75 TSHR (0.35) TSHRMAPK1
SCHEMBL12320633 0.75 TSHR (0.35) TSHRTDP1MAPK1
SCHEMBL16326319 0.73
SCHEMBL428658 0.73
SCHEMBL14980226 0.73
SCHEMBL3108460 0.73
SCHEMBL3455319 0.72 TSHR (0.40) TSHRTDP1ALDH1A1
SCHEMBL9134361 0.72 TSHR (0.40) TSHRTDP1ALDH1A1
SCHEMBL6048444 0.71 SPHK1 (0.33) TSHRMAPK1ALDH1A1LMNA

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 10 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
EP-1002035-A1 CONCENTRATED, STABLE, PREFERABLY CLEAR, FABRIC SOFTENING COMPOSITION CONTAINING AMINE FABRIC SOFTENER THE PROCTER & GAMBLE COMPANY (US) 2000-05-24 EP disclosed
EP-0985013-A1 SOFTENER ACTIVE DERIVED FROM ACYLATED TRIETHANOLAMINE THE PROCTER & GAMBLE COMPANY (US) 2000-03-15 EP disclosed
EP-0918842-A1 SUBSTANTIALLY ODOR-FREE POLYHYDROXYL SOLVENTS THE PROCTER & GAMBLE COMPANY (US) 1999-06-02 EP disclosed
WO-1999006509-A1 CONCENTRATED, STABLE, PREFERABLY CLEAR, FABRIC SOFTENING COMPOSITION CONTAINING AMINE FABRIC SOFTENER THE PROCTER & GAMBLE COMPANY (US) 1999-02-11 WO disclosed
WO-1998047991-A1 SOFTENER ACTIVE DERIVED FROM ACYLATED TRIETHANOLAMINE THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO disclosed
EP-0839180-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITIONS INCLUDING CHELANTS THE PROCTER & GAMBLE COMPANY (US) 1998-05-06 EP disclosed
WO-1998002513-A1 SUBSTANTIALLY ODOR-FREE POLYHYDROXYL SOLVENTS THE PROCTER & GAMBLE COMPANY (US) 1998-01-22 WO disclosed
WO-1997003172-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITIONS INCLUDING CHELANTS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed