SCHEMBL8529697

SCHEMBL8529697

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

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL10906212 0.81 ALDH1A1 (0.35) TSHRTDP1ALDH1A1
SCHEMBL1033095 0.79 TSHR (0.39) TSHRTDP1ALDH1A1
SCHEMBL398390 0.77 TSHR (0.40) TSHRTDP1ALDH1A1
SCHEMBL3680884 0.76 MMP8 (0.31)
Fluoride SCHEMBL1973104 0.74 TSHR (0.38) TSHRTDP1ALDH1A1
SCHEMBL13674514 0.74 TSHR (0.38) TSHRTDP1ALDH1A1
SCHEMBL8495787 0.72 TSHR (0.30) TSHRTDP1
SCHEMBL15800254 0.72 TSHR (0.35) TSHRTDP1ALDH1A1
SCHEMBL8841081 0.72 TSHR (0.35) TSHRTDP1ALDH1A1
SCHEMBL9930783 0.70

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 7 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
EP-0839179-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS 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