SCHEMBL458470

SCHEMBL458470

O=[N+]([O-])C1=CCCCC1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL11803203 0.98 MAPT (0.35)
SCHEMBL1170650 0.98 MAPT (0.35)
SCHEMBL11803198 0.98 MAPT (0.35)
SCHEMBL11803215 0.98 MAPT (0.35)
SCHEMBL31570122 0.98 MAPT (0.35)
SCHEMBL19928385 0.98 MAPT (0.35)
Ammonia Solution, Strong SCHEMBL8917963 0.98 MAPT (0.35)
SCHEMBL1170651 0.98 MAPT (0.35)
SCHEMBL1697297 0.93
SCHEMBL18007273 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150274-A1 Method for producing adipic acid and cyclohexanone oxime from cyclohexane UNIV XIANGTAN (CN) 2024-05-09 US claimed
EP-4296255-A1 METHOD FOR CO-PRODUCING ADIPIC ACID AND CYCLOHEXANONE OXIME FROM CYCLOHEXANE Xiangtan University (CN) 2023-12-27 EP claimed
WO-2022174628-A1 METHOD FOR CO-PRODUCING ADIPIC ACID AND CYCLOHEXANONE OXIME FROM CYCLOHEXANE 湘潭大学 2022-08-25 WO claimed
CN-112939765-B Method for co-producing adipic acid and cyclohexanone oxime from cyclohexane 湘潭大学 2022-08-09 CN claimed
CN-112939765-A Method for co-producing adipic acid and cyclohexanone oxime from cyclohexane 湘潭大学 2021-06-11 CN claimed
US-7732534-B2 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2010-06-08 US claimed
US-20080051552-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION 2008-02-28 US claimed
US-20080051519-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2008-02-28 US claimed
EP-1037873-B1 METHOD FOR PRODUCING ORGANIC HYDROXYLAMINES CONSORTIUM ELEKTROCHEM IND (DE) 2001-08-22 EP claimed
US-6211410-B1 PARTIALLY HYDROGENATING ORGANIC NITRO COMPOUND IN PRESENCE OF ORGANIC BASE OR AMMONIA, TRIVALENT PHOSPHORUS COMPOUND AND HYDROGENATION CATALYST Consortium für elektrochemische Industrie GmbH (DE) 2001-04-03 US claimed
EP-1037873-A1 METHOD FOR PRODUCING ORGANIC HYDROXYLAMINES Consortium für elektrochemische Industrie GmbH (DE) 2000-09-27 EP claimed
WO-1999028289-A1 METHOD FOR PRODUCING ORGANIC HYDROXYLAMINES Consortium für elektrochemische Industrie GmbH (DE) 1999-06-10 WO claimed
WO-1998027970-A2 TREATMENT OF DISEASES OR PREVENTION OF CELLULAR DAMAGE CAUSED BY OXYGEN-CONTAINING FREE RADICALS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1998-07-02 WO claimed
US-20250382305-A1 COMPOUNDS FOR TREATING SPINOCEREBELLAR ATAXIA TYPE 3 PTC THERAPEUTICS INC (US) 2025-12-18 US disclosed
US-12415780-B2 Heterogeneous catalysts for the direct carbonylation of nitro aromatic compounds to isocyanates BASF SE (DE) 2025-09-16 US disclosed
CN-119997954-A Compounds for the treatment of spinocerebellar ataxia type 3 PTC医疗公司 2025-05-13 CN disclosed
US-4331608-A Liquid phase catalytic co-oxidation process MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1982-05-25 US disclosed
EP-0029707-A1 Novel piperidine derivatives, method for the preparation thereof and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD (JP) 1981-06-03 EP disclosed
EP-0021118-A1 Liquid phase catalytic co-oxidation of unsaturated compounds and aldehydes or ketones MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1981-01-07 EP disclosed
US-4163761-A COPPER CHROMITE, HYDROGEN TRANSFER CATALYST TEXACO INC. (US) 1979-08-07 US disclosed