SCHEMBL547995

SCHEMBL547995

O=[N+]([O-])c1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 1.00
ALDH1A1 P00352 5/20 0.70
HPGD P15428 3/20 0.70
TSHR P16473 3/20 0.70
MAPK1 P28482 2/20 0.70
TP53 P04637 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
TDP1 Q9NUW8 3/20 0.59
CYP1A2 P05177 3/20 0.59
HIF1A Q16665 2/20 0.59
ALOX15 P16050 2/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPT P10636 2/20 0.59
CYP2C9 P11712 2/20 0.59
RECQL P46063 2/20 0.59
HSD17B10 Q99714 2/20 0.59
MEN1 O00255 1/20 0.59
TTR P02766 1/20 0.59
ALOX12 P18054 1/20 0.59
PMP22 Q01453 1/20 0.59

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
SCHEMBL1040777 1.00 GPR35 (1.00) GPR35ALDH1A1HPGDTSHRMAPK1
SCHEMBL8959273 0.85 GPR35 (0.72) GPR35ALDH1A1HPGDTSHRMAPK1
Dinitro Cresol SCHEMBL28339937 0.83 GPR35 (0.76) GPR35ALDH1A1HPGDTSHRMAPK1
2,4-Dinitrophenol SCHEMBL77643 0.83 GPR35 (1.00) GPR35ALDH1A1HPGDTSHRMAPK1
2,4-Dinitrophenol SCHEMBL29361027 0.83 GPR35 (1.00) GPR35ALDH1A1HPGDTSHRMAPK1
2,4-Dinitrophenol SCHEMBL1517938 0.83 GPR35 (1.00) GPR35ALDH1A1HPGDTSHRMAPK1
4-Nitrocatechol SCHEMBL11765698 0.82 TSHR (0.69) GPR35ALDH1A1HPGDTSHRMAPK1
SCHEMBL11028069 0.82 GPR35 (0.69) GPR35ALDH1A1HPGDTSHRMAPK1
4-Nitrocatechol SCHEMBL156909 0.82 TSHR (0.69) GPR35ALDH1A1HPGDTSHRMAPK1
4-Nitrocatechol SCHEMBL1608536 0.82 TSHR (0.69) GPR35ALDH1A1HPGDTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118010870-A Method for simultaneously measuring multiple nitrophenol compounds in different food matrixes 四川省食品检验研究院 2024-05-10 CN claimed
WO-2024075068-A1 USE OF AN ANHYDROUS SOLUTION CONTAINING A PH INDICATOR FOR VERIFICATION OF THE SUITABILITY OF WASHING AN AIR CONDITIONING AND/OR REFRIGERATION SYSTEM AS WELL AS ANHYDROUS SOLUTION CONTAINING THE PH INDICATOR, METHOD FOR THE PREPARATION THEREOF, DEVICE FOR VERIFICATION AND USE OF THE LATTER ERRECOM S.P.A. (IT) 2024-04-11 WO claimed
CN-114235541-B Method for rapidly determining 12 nitrophenol compounds in industrial wastewater 甘肃中商食品质量检验检测有限公司 2023-09-22 CN claimed
US-11629373-B2 Compositions, systems, and methods for detecting the presence of polymer subunits using chemiluminescence ILLUMINA, INC. (US) 2023-04-18 US claimed
US-20230074766-A1 Method of Measuring the pH of a Sample DIAGONAL BIO AB (SE) 2023-03-09 US claimed
CN-115362265-A Method for measuring pH of sample 戴格纳生物公司 2022-11-18 CN claimed
EP-3987059-B1 A METHOD OF MEASURING THE PH OF A SAMPLE DIAGONAL BIO AB (SE) 2022-07-06 EP claimed
EP-3987059-A1 A METHOD OF MEASURING THE PH OF A SAMPLE Diagonal Bio AB (SE) 2022-04-27 EP claimed
CN-114235541-A Method for rapidly determining 12 nitrophenol compounds in industrial wastewater 甘肃中商食品质量检验检测有限公司 2022-03-25 CN claimed
CN-109852135-B Composite film that changes color according to change in PH and diaper containing the same 金永昌 2021-12-10 CN claimed
US-5143023-A Animal litter with chemically bound chemical indicators KLEANHEART, INC. (US) 1992-09-01 US claimed
US-5028355-A Conductive polyurethane foam containing picric acid and analog thereof CREST-FOAM CORPORATION (US) 1991-07-02 US claimed
EP-0316446-A4 IMPROVED CONDUCTIVE POLYURETHANE FOAM COMPOSITIONS AND METHOD 1991-03-20 EP claimed
EP-0244799-B1 AN ELECTROLYTE FOR ELECTROLYTIC CAPACITOR NIPPON CHEMI-CON CORPORATION (JP) 1991-03-06 EP claimed
EP-0316446-A1 IMPROVED CONDUCTIVE POLYURETHANE FOAM COMPOSITIONS AND METHOD CREST-FOAM Corp. (US) 1989-05-24 EP claimed
US-4830785-A ALKYL AMMONIUM OR AMINE SALTS OF PHENOL OR NITROPHENOL IN APROTIC SOLVENTS NIPPON CHEMI-CON CORPORATION (JP) 1989-05-16 US claimed
WO-1988009350-A1 IMPROVED CONDUCTIVE POLYURETHANE FOAM COMPOSITIONS AND METHOD CREST-FOAM COPORATION (US) 1988-12-01 WO claimed
US-4758312-A Adding colorless electrochemically active compound having positive reduction potential NALCO CHEMICAL COMPANY (US) 1988-07-19 US claimed
EP-0244799-A2 An electrolyte for electrolytic capacitor NIPPON CHEMI-CON CORPORATION (JP) 1987-11-11 EP claimed
US-4460717-A COATING FOUNDRY AGGREGATE WITH PHENOLIC RESIN CONTAINING AN AROMATIC COMPOUND SUMITOMO DUREZ COMPANY, LTD. (JP) 1984-07-17 US claimed