SCHEMBL325831

SCHEMBL325831

N#Cc1c(C=Cc2ccccc2)ccc(C=Cc2ccccc2)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HPGD P15428 3/20 0.50
ALOX12 P18054 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NFE2L2 Q16236 3/20 0.47
TRPA1 O75762 2/20 0.47
KDM4E B2RXH2 4/20 0.43
CYP1A2 P05177 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAOB P27338 2/20 0.42
CYP19A1 P11511 1/20 0.41
MAOA P21397 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHAT P28329 1/20 0.39

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
SCHEMBL5379049 1.00 ALDH1A1 (0.50) ALDH1A1HPGDALOX12L3MBTL1NFE2L2
SCHEMBL5394327 0.84 ALDH1A1 (0.43) ALDH1A1HPGDALOX12L3MBTL1NFE2L2
SCHEMBL5374747 0.84 ALDH1A1 (0.43) ALDH1A1HPGDALOX12L3MBTL1NFE2L2
SCHEMBL1722260 0.83 ALDH1A1 (0.44) ALDH1A1HPGDALOX12L3MBTL1NFE2L2
Benzene SCHEMBL29106073 0.83 ALDH1A1 (0.44) ALDH1A1HPGDALOX12L3MBTL1NFE2L2
SCHEMBL1932226 0.83 ALDH1A1 (0.44) ALDH1A1HPGDALOX12L3MBTL1NFE2L2
SCHEMBL28583494 0.81 TRPA1 (0.61) ALDH1A1HPGDALOX12L3MBTL1NFE2L2
SCHEMBL7772319 0.81 ALDH1A1 (0.43) ALDH1A1HPGDALOX12L3MBTL1NFE2L2
SCHEMBL30368166 0.81 ALDH1A1 (0.41) ALDH1A1HPGDALOX12L3MBTL1NFE2L2
SCHEMBL5416084 0.80 NFE2L2 (0.48) ALDH1A1HPGDALOX12L3MBTL1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8092649-B2 Method of decreasing the rate of photoyellowing with thiocyanic acid NALCO COMPANY (US) 2012-01-10 US claimed
CN-101326327-A Method for reducing photoyellowing rate NALCO CO (US) 2008-12-17 CN claimed
EP-1960599-A2 METHOD OF DECREASING THE RATE OF PHOTOYELLOWING Nalco Company (US) 2008-08-27 EP claimed
WO-2007070654-A2 METHOD OF DECREASING THE RATE OF PHOTOYELLOWING NALCO COMPANY (US) 2007-06-21 WO claimed
US-20070131373-A1 Method of decreasing the rate of photoyellowing ECOLAB USA INC. 2007-06-14 US claimed
EP-2665856-B1 FORMULATIONS OF FLUORESCENT WHITENING AGENTS IN DISPERSED FORM HUNTSMAN ADVANCED MAT (SWITZERLAND) GMBH (CH) 2017-03-01 EP disclosed
US-9181656-B2 FWA formulation used for the papermaking process Li meng jun (CA) 2015-11-10 US disclosed
US-9109331-B2 Fluorescent brighter #71 used for the papermaking process Li meng jun (CA) 2015-08-18 US disclosed
US-20150159331-A1 Fluorescent brighter #71 used for the papermaking process Li meng jun (CA) 2015-06-11 US disclosed
US-20150123037-A1 Novel FWA formulation used for the papermaking process Li meng jun (CA) 2015-05-07 US disclosed
US-20150119600-A1 Novel Optical Brightening Agent Used for the Papermaking Process Li meng jun (CA) 2015-04-30 US disclosed
US-8679199-B2 Formulations of fluorescent whitening agents in dispersed form HUNSTMAN INTERNATIONAL LLC (US) 2014-03-25 US disclosed
US-20060048309-A1 Mixtures of fluorescent whitening agents CIBA SPECIALTY CHEMICALS CORP. 2006-03-09 US disclosed
EP-1570122-A1 MIXTURES OF FLUORESCENT WHITENING AGENTS Ciba SC Holding AG (CH) 2005-09-07 EP disclosed
US-20050075453-A1 Method for producing aqueous polymer dispersions containing colorants BASF AKTIENGESELLSCHAF (DE) 2005-04-07 US disclosed
WO-2004053221-A1 MIXTURES OF FLUORESCENT WHITENING AGENTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-06-24 WO disclosed
US-6727318-B1 EMULSION POLYMERIZATION OF ETHYLENICALLY UNSATURATED AND DYE-COMPRISING MONOMERS IN PRESENCE OF FREE-RADICAL INITIATORS BASF AKTIENGESELLSCHAFT (DE) 2004-04-27 US disclosed
EP-1054907-B1 METHOD FOR PRODUCING AQUEOUS POLYMER DISPERSIONS CONTAINING COLORANTS BASF AG (DE) 2004-04-14 EP disclosed
EP-1054907-A2 METHOD FOR PRODUCING AQUEOUS POLYMER DISPERSIONS CONTAINING COLORANTS BASF AKTIENGESELLSCHAFT (DE) 2000-11-29 EP disclosed
WO-1999040123-A2 METHOD FOR PRODUCING AQUEOUS POLYMER DISPERSIONS CONTAINING COLORANTS BASF AKTIENGESELLSCHAFT (DE) 1999-08-12 WO disclosed