SCHEMBL7688973

SCHEMBL7688973

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

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALOX15 P16050 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
SCHEMBL544798 0.91 TSHR (0.38) TSHRTDP1ALOX15
SCHEMBL544797 0.91 TSHR (0.38) TSHRTDP1ALOX15
SCHEMBL12778795 0.82 TSHR (0.32) TSHRTDP1ALOX15
SCHEMBL28808877 0.78
SCHEMBL510866 0.77 ALDH1A1 (0.33) TSHR
SCHEMBL8481183 0.77 ALDH1A1 (0.33) TSHR
SCHEMBL510865 0.77 ALDH1A1 (0.33) TSHR
SCHEMBL13707158 0.77
SCHEMBL13366724 0.77
SCHEMBL8468971 0.74

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 5 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-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN claimed
US-6335315-B1 Concentrated fabric softening composition THE PROCTER & GAMBLE COMPANY 2002-01-01 US disclosed
US-6323172-B1 AQUEOUS COMPOSITION COMPRISING FABRIC SOFTENER, SELECTED PRINCIPAL SOLVENT, LOW MOLECULAR WEIGHT WATER SOLUBLE SOLVENT TO IMPROVE CLARITY, WATER SOLUBLE CALCIUM AND/OR MAGNESIUM SALT THE PROCTER & GAMBLE COMPANY 2001-11-27 US disclosed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN disclosed