SCHEMBL290624

SCHEMBL290624

C=CC[n+]1ccccc1C(C)=O.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.35
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.30
GFER P55789 1/20 0.30
ACHE P22303 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
SCHEMBL1712435 0.87 PTGS1 (0.38) PTGS1GAAALDH1A1PKMPOLB
SCHEMBL1716791 0.86 PTGS1 (0.35) PTGS1GAAALDH1A1PKMPOLB
SCHEMBL289299 0.86 PTGS1 (0.37) PTGS1GAAALDH1A1PKMPOLB
SCHEMBL290993 0.85 PTGS1 (0.36) PTGS1GAAALDH1A1PKMPOLB
SCHEMBL1034143 0.84 CYP2D6 (0.43) PTGS1GAAALDH1A1PKMKDM4E
SCHEMBL291133 0.82 PTGS1 (0.34) PTGS1GAAALDH1A1PKM
Sulfuric Acid SCHEMBL147959 0.81 KDM4E (0.38) KDM4EACHE
Sulfuric Acid SCHEMBL147958 0.81 KDM4E (0.38) PKMKDM4EACHE
SCHEMBL23221 0.81 PTGS1 (0.40) PTGS1GAAALDH1A1PKMPOLB
SCHEMBL148488 0.81 KDM4E (0.36) GAAALDH1A1PKMKDM4EPOLB

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 86 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
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-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-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-2315576-B1 CATIONIC ACETYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS HENKEL AG & CO KGAA (DE) 2013-12-25 EP claimed
EP-2651377-A2 BRIGHTENING AGENT COMPRISING ACYLPYRIDINIUM COMPOUNDS AND DEFINED SURFACTANT COMBINATION Henkel AG & Co. KGaA (DE) 2013-10-23 EP claimed
EP-2651378-A2 BRIGHTENING AGENT COMPRISING ACYLPYRIDINIUM COMPOUNDS AND DEFINED ALKALIZING AGENTS Henkel AG & Co. KGaA (DE) 2013-10-23 EP claimed
EP-2314761-B1 Bleach activators for methods for bleaching cellulose fibres HENKEL AG & CO KGAA (DE) 2012-03-14 EP claimed
WO-2011124401-A2 LIGHTENER WITH LIPOPHILIC ACYLPYRIDINIUM COMPLEX HENKEL AG & CO. KGAA (DE) 2011-10-13 WO claimed
WO-2011082848-A2 ANTIBACTERIAL AND BLEACHING ORAL AND DENTAL HYGIENE AND CLEANING AGENT II HENKEL AG & CO. KGAA (DE) 2011-07-14 WO claimed
EP-2315576-A1 CATIONIC ACETYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS Henkel AG & Co. KGaA (DE) 2011-05-04 EP 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
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-2010022996-A1 CATIONIC ACETYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS HENKEL AG & CO. KGAA (DE) 2010-03-04 WO claimed