SCHEMBL3949941

SCHEMBL3949941

Nc1c(C(F)(F)F)ccc(CCO)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
PDE7A Q13946 1/20 0.35
HTT P42858 2/20 0.33
POLB P06746 2/20 0.33
EPAS1 Q99814 3/20 0.32
ARNT P27540 1/20 0.32
VEGFA P15692 1/20 0.32
AR P10275 2/20 0.32
CES2 O00748 1/20 0.32
ABCB11 O95342 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
TBXA2R P21731 1/20 0.32

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
SCHEMBL354095 0.82 TSHR (0.43) ALDH1A1TSHRHTTPOLBLMNA
SCHEMBL2878100 0.81 GRM8 (0.32) ALDH1A1TSHRPDE7AHTTEPAS1
SCHEMBL5710258 0.80 TSHR (0.44) ALDH1A1TSHRHTTPOLBLMNA
SCHEMBL7450322 0.79 PDE7A (0.45) ALDH1A1PDE7APOLBEPAS1VEGFA
SCHEMBL29377050 0.78 TSHR (0.40) ALDH1A1TSHRHTTPOLBALOX15
SCHEMBL872694 0.78 TSHR (0.40) ALDH1A1TSHRHTTPOLBALOX15
SCHEMBL27397783 0.77 TRPV1 (0.33) TSHRPOLBARGLAKIF11
SCHEMBL4456705 0.77 ALDH1A1 (0.39) ALDH1A1TSHRHTTPOLBLMNA
SCHEMBL27881224 0.77 TSHR (0.39) ALDH1A1TSHRHTTPOLBCYP3A4
SCHEMBL1437068 0.77 TSHR (0.39) ALDH1A1TSHRHTTPOLBLMNA

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110035739-A Dye composite comprising 12- hydroxy stearic acid, organic amine and dyestuff 欧莱雅 2019-07-19 CN disclosed
CN-108697624-A The oxidising composition for including fatty material and oxygen alkylene surfactant for handling keratin material 莱雅公司 2018-10-23 CN disclosed
CN-107595671-A The dyeing of condensation polymer comprising oxirane and expoxy propane and/or bleaching composition 莱雅公司 2018-01-19 CN disclosed
CN-107548301-A Contain composition of the menthol as soothing agent 西姆莱斯股份公司 2018-01-05 CN disclosed
CN-106890106-A The dyeing of the condensation polymer comprising oxirane and expoxy propane and/or bleaching composition 莱雅公司 2017-06-27 CN disclosed
CN-106890110-A Use the direct emulsion comprising oxidant and the hair treatment method of the composition containing alkaline agent 莱雅公司 2017-06-27 CN disclosed
CN-104066423-A Compositions and methods for altering the appearance of hair OREAL 2014-09-24 CN disclosed
CN-101874765-B Oxidizing composition for the treatment of keratin fibres comprising an oil, a fatty alcohol and an oxyalkylenated fatty alcohol OREAL 2013-09-18 CN disclosed
CN-101999991-A Dying composition comprising a particular disulfide dye and process of dying keratinous fibres with this dye OREAL 2011-04-06 CN disclosed
CN-101919792-A Use desalination of amino-trialkoxy silane or amino triolefin TMOS compositions and/or coloring human keratin fibers OREAL 2010-12-22 CN disclosed
CN-101889962-A Use comprises amino-trialkoxy silane or amino triolefin TMOS compound compositions desalination and/or coloring human keratin fibers and device OREAL 2010-11-24 CN disclosed
CN-101874765-A The oxidising composition of processing angle azelon that comprises the aliphatic alcohol of oil, aliphatic alcohol and oxidation alkylene OREAL 2010-11-03 CN disclosed
CN-101791275-A Oxidizing composition for the treatment of keratin fibres comprising a cationic polymer, a fatty amide and an antioxidant OREAL 2010-08-04 CN disclosed
EP-2076237-A1 COMPOSITION FOR OXIDATION DYEING KERATINOUS FIBRES COMPRISING AT LEAST ONE PARTICULAR AMMONIUM SALT DERIVED FROM 18MEA, AND A COLOURING METHOD USING THE COMPOSITION L'Oreal (FR) 2009-07-08 EP disclosed
WO-2008049767-A1 COMPOSITION FOR OXIDATION DYEING KERATINOUS FIBRES COMPRISING AT LEAST ONE PARTICULAR AMMONIUM SALT DERIVED FROM 18MEA, AND A COLOURING METHOD USING THE COMPOSITION L'OREAL (FR) 2008-05-02 WO disclosed
CN-1081636-C Pyrrolyl quinoxalindiones, their production and use BASF AG (DE) 2002-03-27 CN disclosed
CN-1211980-A Pyrrolyl quinoxalindiones, their production and use BASF AG (DE) 1999-03-24 CN disclosed
EP-0863739-A2 HAIR DYE Wella Aktiengesellschaft (DE) 1998-09-16 EP disclosed
WO-1998011863-A2 HAIR DYE WELLA AKTIENGESELLSCHAFT (DE) 1998-03-26 WO disclosed