SCHEMBL62178

SCHEMBL62178

O=[N+]([O-])C1CCCCC1

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
SCHEMBL1192805 1.00 GSR (0.38)
SCHEMBL1192208 1.00 GSR (0.38)
SCHEMBL1170408 1.00 GSR (0.38)
SCHEMBL28464401 1.00 GSR (0.38)
SCHEMBL264241 1.00 GSR (0.38)
SCHEMBL1192951 1.00 GSR (0.38)
SCHEMBL1192536 1.00 GSR (0.38)
Methane SCHEMBL11766489 0.97 GSR (0.37)
SCHEMBL27835694 0.97 GSR (0.37)
SCHEMBL264764 0.97

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 1363 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025118400-A1 BIOSENSOR FOR MEASURING NITROREDUCTASE, PREPARATION METHOD FOR BIOSENSOR, AND QUANTITATIVE MEASUREMENT METHOD FOR NITROREDUCTASE 安徽师范大学 2025-06-12 WO claimed
CN-119215901-A TiO (titanium dioxide)2Modified nickel-based catalyst and method for preparing primary amine compound by using same 中南民族大学 2024-12-31 CN claimed
CN-118930436-A Method for catalyzing coupling reaction of nitro compound and diazo compound by using corrinyl ring-containing small molecular compound 北京化工大学 2024-11-12 CN claimed
US-20240150274-A1 Method for producing adipic acid and cyclohexanone oxime from cyclohexane UNIV XIANGTAN (CN) 2024-05-09 US claimed
CN-117658821-A Method for preparing amine by hydrogenation of nitro compound 中国科学院过程工程研究所 2024-03-08 CN claimed
EP-4296255-A1 METHOD FOR CO-PRODUCING ADIPIC ACID AND CYCLOHEXANONE OXIME FROM CYCLOHEXANE Xiangtan University (CN) 2023-12-27 EP claimed
CN-116836059-A Novel process for preparing nitrocyclohexane by nitrifying cyclohexane by photocatalytic metal nitrate 湖南师范大学 2023-10-03 CN claimed
CN-114768816-B Metal supported catalyst and preparation method and application thereof 华润化学材料科技股份有限公司 2023-08-15 CN claimed
CN-111253281-B Preparation method of cyclohexanone oxime 湘潭大学 2023-08-04 CN claimed
CN-111530465-B Preparation method of supported cigarette butt porous carbon material catalyst and application of supported cigarette butt porous carbon material catalyst in nitrocyclohexane hydrogenation reaction 湘潭大学 2023-05-12 CN claimed
EP-0121171-A2 Fungicides, process for their preparation and their use BAYER AG (DE) 1984-10-10 EP claimed
US-4348389-A Quinoxaline adducts useful as anthelmintics INTERNATIONAL MINERALS & CHEMICAL CORP. (US) 1982-09-07 US claimed
US-4317752-A POLYURETHANE FOAMS; INSULATION; CONSTRUCTION MATERIALS BLOUNT DAVID H 1982-03-02 US claimed
US-4280006-A Process for the production of polyisocyanate silicate plastics utilizing an alkali metal cellulose silicate condensation product BLOUNT DAVID H 1981-07-21 US claimed
US-4262108-A FIREPROOF CONSTRUCTION MATERIALS, INSULATION BLOUNT DAVID H 1981-04-14 US claimed
US-4153764-A Process for the production of polyisocyanate organic silicate solid/cellular solid product BLOUNT DAVID H 1979-05-08 US claimed
US-3989755-A CATALYST COMPRISING SELENIUM METAL OR INORGANIC SALTS, AND A BASE ATLANTIC RICHFIELD COMPANY (US) 1976-11-02 US claimed
US-3981831-A REACTION OF ORGANIC POLYISOCYANATE WITH ALKALI METAL SILICATE OR SILICA SOL BAYER AKTIENGESELLSCHAFT (DT) 1976-09-21 US claimed
US-3981916-A Reduction of nitroparaffin substrates to their corresponding oximes using a silver salt catalyst TEXACO INC. (US) 1976-09-21 US claimed
US-3953488-A Method for preparing aliphatic and cycloaliphatic isothiocyanates OLIN CORPORATION (US) 1976-04-27 US claimed