SCHEMBL9316398

SCHEMBL9316398

O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.66
ALDH1A1 P00352 2/20 0.66
CYP3A4 P08684 2/20 0.66
TSHR P16473 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
HPGD P15428 1/20 0.66
ALOX15 P16050 1/20 0.66
HIF1A Q16665 1/20 0.66
TXNRD1 Q16881 1/20 0.66
TXNRD3 Q86VQ6 1/20 0.66
TXNRD2 Q9NNW7 1/20 0.66
PTPN5 P54829 1/20 0.54
TTR P02766 1/20 0.54
MAPK1 P28482 1/20 0.51
PLK1 P53350 1/20 0.50
P2RX1 P51575 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48

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
SCHEMBL10671642 0.89 ALDH1A1 (0.58) GPR35ALDH1A1CYP3A4TSHRTDP1
SCHEMBL10884469 0.89 CYP3A4 (0.58) GPR35ALDH1A1CYP3A4TSHRTDP1
SCHEMBL9628369 0.87 ALDH1A1 (0.70) GPR35ALDH1A1CYP3A4TSHRTDP1
SCHEMBL1024025 0.87 CYP3A4 (0.66) GPR35ALDH1A1CYP3A4TSHRTDP1
SCHEMBL8331928 0.87 ALDH1A1 (0.56) GPR35ALDH1A1CYP3A4TSHRTDP1
SCHEMBL31206452 0.84 ERN1 (0.59) GPR35ALDH1A1CYP3A4TSHRTDP1
SCHEMBL1752555 0.84 MAPT (0.57) GPR35ALDH1A1CYP3A4TSHRTDP1
SCHEMBL11444409 0.83 ALDH1A1 (0.66) GPR35ALDH1A1CYP3A4TSHRTDP1
SCHEMBL6203515 0.81 ALDH1A1 (0.68) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL447160 0.80 ALDH1A1 (0.56) GPR35ALDH1A1CYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119443463-A Construction environment influence evaluation method and system based on Internet of things distributed energy storage power station 国网湖北省电力有限公司经济技术研究院 2025-02-14 CN claimed
EP-3609977-B1 COMPOSITION FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2024-05-29 EP claimed
US-11778907-B2 Composition for organic electronic devices MERCK PATENT GMBH (DE) 2023-10-03 US claimed
CN-110612119-A Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院(DBA西雅图儿童研究所) 2019-12-24 CN claimed
WO-2018148224-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS Seattle Children's Hospital (dba Seattle Children's Research Institute) (US) 2018-08-16 WO claimed
JP-55139341-A None JP disclosed
CN-122010818-A Organic compound, and electronic component and electronic device using same 陕西莱特光电材料股份有限公司 2026-05-12 CN disclosed
EP-4727311-A1 COMPOUND, ORGANIC LIGHT EMITTING DIODE, AND DISPLAY DEVICE Novaled GmbH (DE) 2026-04-15 EP disclosed
EP-4078692-B1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2026-03-18 EP disclosed
EP-4663407-A1 LAMINATE AND PACKAGING BAG Dai Nippon Printing Co., Ltd. (JP) 2025-12-17 EP disclosed
EP-4663408-A1 LAMINATE AND PACKAGING BAG Dai Nippon Printing Co., Ltd. (JP) 2025-12-17 EP disclosed
EP-4663406-A1 LAMINATE AND PACKAGING BAG Dai Nippon Printing Co., Ltd. (JP) 2025-12-17 EP disclosed
US-4814518-A SOLVENT EXTRACTION, AMINE SALTS HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-21 US disclosed
EP-0256504-A1 Process for the extraction of nitro-hydroxy-aromates from aqueous solutions HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-24 EP disclosed
US-4596893-A Plant growth regulators BUDAPESTI VEGYIMUVEK (HU) 1986-06-24 US disclosed
EP-0059354-B1 COLOUR PHOTOGRAPHIC RECORDING MATERIAL Agfa-Gevaert AG (DE) 1984-06-20 EP disclosed
US-4418143-A Color photographic recording material AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1983-11-29 US disclosed
EP-0059354-A1 Colour photographic recording material Agfa-Gevaert AG (DE) 1982-09-08 EP disclosed
JP-S55139341-A DINITROPHENOL DERIVATIVE, ITS PREPARATION, AND AGRICULTURAL AND HORTICULTURAL GERMICIDAL AND HERBICIDAL AGENT, CONTAINING IT AS EFFECTIVE COMPONENT KUMIAI CHEM IND CO LTD 1980-10-31 JP disclosed
US-4145361-A REACTING 2-FLUORO-2,2-DINITRO-ETHYL CHLOROFORMATE WITH AN ALKALI METAL PHENATE SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1979-03-20 US disclosed