SCHEMBL5164968

SCHEMBL5164968

CCCCCCCC/C=C\CCCCCCCCOCC[N+](C)(CCO)CCOCCCCCCCC/C=C\CCCCCCCC.COS(=O)(=O)[O-]

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
LPAR1 Q92633 2/20 0.38
LPAR3 Q9UBY5 2/20 0.38
RECQL P46063 2/20 0.37
CNR2 P34972 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
EPHX2 P34913 1/20 0.37
BLM P54132 1/20 0.37
ENPP2 Q13822 1/20 0.37

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
SCHEMBL7797368 1.00 MEN1 (0.39) MEN1THRBHTTKMT2AMAPT
SCHEMBL9223463 0.92 MEN1 (0.45) MEN1THRBHTTKMT2AMAPT
SCHEMBL2363026 0.91 MEN1 (0.42) MEN1THRBHTTKMT2AMAPT
SCHEMBL6673254 0.89 ENPP2 (0.40) CNR2TRPV1EPHX2ENPP2
SCHEMBL7768310 0.89 ENPP2 (0.40) CNR2TRPV1EPHX2ENPP2
SCHEMBL7794520 0.88 MEN1 (0.49) MEN1THRBHTTKMT2AMAPT
SCHEMBL7794515 0.88 MEN1 (0.49) MEN1THRBHTTKMT2AMAPT
SCHEMBL19371256 0.86
SCHEMBL6949117 0.86 RECQL (0.41) LPAR1LPAR3RECQLTRPV1GLA
SCHEMBL3371265 0.86 RECQL (0.41) LPAR1LPAR3RECQLTRPV1GLA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0704522-B1 Dryer-activated fabric conditioning compositions containing unsaturated fatty acid PROCTER & GAMBLE (US) 2001-11-28 EP claimed
EP-0704522-A2 Dryer-activated fabric conditioning compositions containing unsaturated fatty acid THE PROCTER & GAMBLE COMPANY (US) 1996-04-03 EP claimed
US-5503756-A ALSO CONTAINING FABRIC SOFTENER CONSISTING OF BIODEGRADABLE QUATERNARY AMMONIUM COMPOUND, ALKOXYLATED SUGAR DERIVATIVE HAVING LONG HYDROPHOBIC GROUP, CARBOXYLIC ACID SALT OF TERTIARY AMINE THE PROCTER & GAMBLE COMPANY (US) 1996-04-02 US claimed
EP-0881279-B2 Granules containing cationic surfactant COGNIS IP MAN GMBH (DE) 2007-04-18 EP disclosed
US-6677491-B2 FRAGRANCE DELIVERY SYSTEM FOR USE IN LAUNDRY DETERGENT COMPOSITIONS INCLUDING RINSE-ADDED AND DRYER-ADDED FABRIC CONDITIONING COMPOSITIONS WHICH PROVIDES A LONG LASTING ?FRESHNESS? OR ?CLEAN? SCENT TO FABRIC. PROCTER & GAMBLE COMPANY 2004-01-13 US disclosed
US-20030032565-A1 Pro-fragrance linear acetals and ketals SIVIK MARK ROBERT (US) 2003-02-13 US disclosed
EP-0881279-B1 Process for making granules containing cationic surfactant COGNIS DEUTSCHLAND GMBH (DE) 2003-01-02 EP disclosed
EP-0906395-B1 POLYAMINES HAVING FABRIC APPEARANCE ENHANCEMENT BENEFITS PROCTER & GAMBLE (US) 2002-08-14 EP disclosed
EP-0991615-B1 PRO-FRAGRANCE LINEAR ACETALS AND KETALS PROCTER & GAMBLE (US) 2002-08-14 EP disclosed
US-6395695-B1 LAUNDRY DETERGENT THE PROCTER & GAMBLE COMPANY 2002-05-28 US disclosed
US-6316397-B1 FABRICS FOR AUTOMATIC LAUNDRY DRYERS WITH FRAGRANCES THE PROCTER & GAMBLE CO. 2001-11-13 US disclosed
EP-0991615-A1 PRO-FRAGRANCE LINEAR ACETALS AND KETALS THE PROCTER & GAMBLE COMPANY (US) 2000-04-12 EP disclosed
EP-0912679-A1 FABRIC TREATMENT COMPOSITIONS COMPRISING MODIFIED POLYAMINES THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 EP disclosed
EP-0906395-A1 POLYAMINES HAVING FABRIC APPEARANCE ENHANCEMENT BENEFITS THE PROCTER & GAMBLE COMPANY (US) 1999-04-07 EP disclosed
WO-1999000347-A1 PRO-FRAGRANCE LINEAR ACETALS AND KETALS THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 WO disclosed
WO-1999000377-A1 PRO-FRAGRANCE CYCLIC ACETALS THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 WO disclosed
EP-0881279-A2 Process for making granules containing cationic surfactant Henkel Kommanditgesellschaft auf Aktien (DE) 1998-12-02 EP disclosed
WO-1997042289-A1 FABRIC TREATMENT COMPOSITIONS COMPRISING MODIFIED POLYAMINES THE PROCTER & GAMBLE COMPANY (US) 1997-11-13 WO disclosed
WO-1997042290-A1 POLYAMINES HAVING FABRIC APPEARANCE ENHANCEMENT BENEFITS THE PROCTER & GAMBLE COMPANY (US) 1997-11-13 WO disclosed
US-5476599-A Containing a quaternary ammonium compound and a tertiary amine salt of a carboxylic acid THE PROCTER & GAMBLE COMPANY (US) 1995-12-19 US disclosed