SCHEMBL574700

SCHEMBL574700

CCCCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.54
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
HPGD P15428 2/20 0.53
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TTR P02766 1/20 0.53
CYP1A2 P05177 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
RECQL P46063 1/20 0.53
PMP22 Q01453 1/20 0.53
HIF1A Q16665 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HTT P42858 4/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL11122889 0.95 GPR35 (0.53) GPR35ALDH1A1KMT2AMEN1TDP1
Acetic Acid SCHEMBL11119809 0.94 ALDH1A1 (0.49) GPR35ALDH1A1KMT2AMEN1TDP1
SCHEMBL1857493 0.94 GPR35 (0.51) GPR35ALDH1A1KMT2AMEN1TDP1
SCHEMBL17965861 0.94 GPR35 (0.51) GPR35ALDH1A1KMT2AMEN1TDP1
SCHEMBL5080677 0.90 GPR35 (0.57) GPR35ALDH1A1KMT2AMEN1TDP1
SCHEMBL11216304 0.90 HTT (0.50) GPR35ALDH1A1KMT2AMEN1TDP1
SCHEMBL16540298 0.86 GPR35 (0.54) GPR35ALDH1A1KMT2AMEN1TDP1
SCHEMBL5083326 0.85 GPR35 (0.62) GPR35ALDH1A1KMT2AMEN1TDP1
SCHEMBL27762027 0.84 ESR1 (0.45) GPR35ALDH1A1TDP1HPGDMAPK1
SCHEMBL27787884 0.83 HTT (0.64) GPR35ALDH1A1KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109517625-A A kind of FCC gasoline processing method 北京安耐吉能源工程技术有限公司 2019-03-26 CN claimed
EP-2585490-A1 COMPOSITIONS AND METHOD OF INHIBITING POLYMERIZATION OF VINYL-ARYL MONOMERS Dow Global Technologies LLC (US) 2013-05-01 EP claimed
WO-2012018650-A1 COMPOSITIONS AND METHOD OF INHIBITING POLYMERIZATION OF VINYL-ARYL MONOMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2012-02-09 WO claimed
EP-1248757-B1 INHIBITION OF POLYMERIZATION OF UNSATURATED MONOMERS CHEMTURA CORP (US) 2007-11-14 EP claimed
US-4818278-A N-/HETEROCYCLICAMINOCARBONYL/ARYL SULFONAMIDES; HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-04-04 US claimed
JP-62123101-A None JP disclosed
EP-4602020-A1 ANTIPOLYMERANT COMPOSITIONS WITH NAPHTHOQUINONE AND HYDROXYLAMINE AND METHODS OF USING Ecolab USA, Inc. (US) 2025-08-20 EP disclosed
US-20250092312-A1 ANTIPOLYMERANT COMPOSITIONS WITH BENZOQUINONE OR NAPHTHOQUINONE AND OXYGENATED AMINOPHENOL AND METHODS OF USING ECOLAB USA INC. 2025-03-20 US disclosed
WO-2025059441-A1 ANTIPOLYMERANT COMPOSITIONS WITH BENZOQUINONE OR NAPHTHOQUINONE AND OXYGENATED AMINOPHENOL AND METHODS OF USING ECOLAB USA INC. (US) 2025-03-20 WO disclosed
US-20240141131-A1 ANTIPOLYMERANT COMPOSITIONS WITH NAPHTHOQUINONE AND HYDROXYLAMINE AND METHODS OF USING ECOLAB USA INC. 2024-05-02 US disclosed
WO-2024081354-A1 ANTIPOLYMERANT COMPOSITIONS WITH NAPHTHOQUINONE AND HYDROXYLAMINE AND METHODS OF USING ECOLAB USA INC. (US) 2024-04-18 WO disclosed
EP-3820846-B1 COMPOSITION FOR INHIBITING MONOMER POLYMERIZATION COMPRISING A NITROXIDE INHIBITOR, A QUINONE METHIDE RETARDER AND AN AMINE STABILIZER ECOLAB USA INC (US) 2024-01-03 EP disclosed
US-4448691-A HOLLOW FIBERS USED TO TRANSFER REAGENT INTO EFFLUENT THE DOW CHEMICAL COMPANY (US) 1984-05-15 US disclosed
US-4435205-A Herbicidal o-alkylsulfonyloxy- and o-alkylsulfonylaminobenzenesulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-03-06 US disclosed
EP-0039426-B1 THIATRIAZINE DIOXIDES AND HERBICIDAL COMPOSITIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1984-01-18 EP disclosed
EP-0019171-B1 HERBICIDAL AGENT ON THE BASIS OF N-AZOLYL-METHYL-HALOGENACETANILIDES AND CYCLOHEXANE-1,3-DIONE DERIVATIVES, AND ITS USE IN COMBATING UNDESIRED PLANT GROWTH BASF Aktiengesellschaft (DE) 1982-11-24 EP disclosed
EP-0059011-A1 Crop defoliant and use thereof SIEGFRIED AKTIENGESELLSCHAFT (CH) 1982-09-01 EP disclosed
EP-0019759-B1 N-ARYLTHIOLCARBAMATES, HERBICIDES CONTAINING THEM AND PROCESS FOR COMBATING UNDESIRABLE PLANT GROWTH THEREWITH BASF Aktiengesellschaft (DE) 1982-02-10 EP disclosed
EP-0036244-A1 Herbicidal compositions comprising 1-(3,4-dichloro-benzyl)imidazole-N,N'-dimethyl-4,5-dicarboxamide MAY & BAKER LIMITED (GB) 1981-09-23 EP disclosed
US-3728458-A METHODS OF CONTROLLING NEMATODES USING 2-BUTYL-4,6-DINITRO-PHENOL CARBOXYLIC ESTERS MURPHY CHEMICAL LTD 1973-04-17 US disclosed