SCHEMBL290936

SCHEMBL290936

C=CC[n+]1ccc(C(C)=O)cc1.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
HSD17B1 P14061 2/20 0.36
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PTGER4 P35408 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
SCHEMBL291072 0.86 PTGS1 (0.40) PTGS1HSD17B1GAAALDH1A1PKM
SCHEMBL290657 0.85 PTGS1 (0.38) PTGS1HSD17B1GAAALDH1A1PKM
SCHEMBL290802 0.85 PTGS1 (0.39) PTGS1HSD17B1GAAALDH1A1PKM
SCHEMBL290938 0.85 HSD17B1 (0.41) PTGS1HSD17B1GAAALDH1A1PKM
SCHEMBL290247 0.82 PTGS1 (0.37) PTGS1HSD17B1GAAALDH1A1PKM
SCHEMBL24353 0.82 PTGS1 (0.43) PTGS1HSD17B1GAAALDH1A1PKM
SCHEMBL290902 0.81 ALDH1A1 (0.40) PTGS1HSD17B1GAAALDH1A1PKM
Sulfuric Acid SCHEMBL141211 0.80 KMT2A (0.34) ALDH1A1
Sulfuric Acid SCHEMBL141210 0.80 ACHE (0.35) ALDH1A1
SCHEMBL290624 0.79 PTGS1 (0.35) PTGS1GAAALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2934472-B1 GENTLE OXIDATIVE HAIR TREATMENT WITH SILICONE PRE-TREATMENT AND BLEACHING FORCE INTENSIFIER HENKEL AG & CO KGAA (DE) 2017-09-13 EP claimed
EP-2271302-B1 BLEACHING AGENT COMPRISING A CATIONIC ACYL PYRIDINIUM DERIVATIVE, A CO-BLEACHING ACTIVATOR, AND HYDROGEN PEROXIDE HENKEL AG & CO KGAA (DE) 2017-07-12 EP claimed
WO-2017089163-A1 ENZYME STABILIZERS HENKEL AG & CO. KGAA (DE) 2017-06-01 WO claimed
EP-2651377-B1 BRIGHTENING AGENT COMPRISING ACYLPYRIDINIUM COMPOUNDS AND DEFINED SURFACTANT COMBINATION HENKEL AG & CO KGAA (DE) 2017-04-12 EP claimed
EP-2552394-B1 DYE WITH LIPOPHILIC ACYLPYRIDINIUM COMPLEX HENKEL AG & CO KGAA (DE) 2016-11-02 EP claimed
EP-2429483-B1 HAIR CARE PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO KGAA (DE) 2015-11-25 EP claimed
EP-2934472-A2 GENTLE OXIDATIVE HAIR TREATMENT WITH SILICONE PRE-TREATMENT AND BLEACHING FORCE INTENSIFIER Henkel AG & Co. KGaA (DE) 2015-10-28 EP claimed
EP-2429484-B1 HAIR CARE AGENT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO KGAA (DE) 2015-03-25 EP claimed
EP-2552393-B1 LIGHTENER WITH LIPOPHILIC ACYLPYRIDINIUM COMPLEX HENKEL AG & CO KGAA (DE) 2015-03-04 EP claimed
WO-2014095179-A2 GENTLE OXIDATIVE HAIR TREATMENT WITH SILICONE PRE-TREATMENT AND BLEACHING FORCE INTENSIFIER HENKEL AG & CO. KGAA (DE) 2014-06-26 WO claimed
EP-2314761-A1 Bleach activators for methods for bleaching cellulose fibres Henkel AG & Co. KGaA (DE) 2011-04-27 EP claimed
WO-2011045142-A2 LIGHTENING AGENT HAVING CATIONIC ACYLPYRIDINIUM DERIVATIVES AND CERTAIN AMMONIUM COMPOUNDS HENKEL AG & CO. KGAA (DE) 2011-04-21 WO claimed
WO-2011045134-A2 LIGHTENING AGENT HAVING CATIONIC ACYLPYRIDINIUM DERIVATIVES AND CERTAIN AMINO ACIDS HENKEL AG & CO. KGAA (DE) 2011-04-21 WO claimed
EP-2271302-A1 BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERIVATIVES, CO-BLEACHING ACTIVATORS, AND HYDROGEN PEROXIDE Henkel AG & Co. KGaA (DE) 2011-01-12 EP claimed
WO-2010130513-A2 HAIR CARE PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO. KGAA (DE) 2010-11-18 WO claimed
WO-2010130526-A2 HAIR CARE AGENT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO. KGAA (DE) 2010-11-18 WO claimed
WO-2010130510-A2 HAIR SHAPING PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO. KGAA (DE) 2010-11-18 WO claimed
WO-2010066720-A2 IMPROVED BEACHING WITH CONCOMITANT HAIR TONICIZING HENKEL AG & CO. KGAA (DE) 2010-06-17 WO claimed
WO-2010022996-A1 CATIONIC ACETYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS HENKEL AG & CO. KGAA (DE) 2010-03-04 WO claimed
WO-2009135700-A1 BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERIVATIVES, CO-BLEACHING ACTIVATORS, AND HYDROGEN PEROXIDE HENKEL AG & CO. KGAA (DE) 2009-11-12 WO claimed