SCHEMBL545380

SCHEMBL545380

O=[N+]([O-])c1ccncc1

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
Ammonia Solution, Strong SCHEMBL27496972 0.97 MAPT (0.63)
Hydrochloric Acid SCHEMBL27929116 0.97 MAPT (0.63)
SCHEMBL19859330 0.95 MAPT (0.61)
Hydrazine SCHEMBL29186984 0.93 MAPT (0.59)
Pyrazine SCHEMBL27515795 0.89 MAPT (0.65)
Formic Acid SCHEMBL27648380 0.89 MAPT (0.60)
Ethylene Glycol SCHEMBL29186934 0.89 POLB (0.60)
SCHEMBL3447074 0.85 MAPT (0.62)
SCHEMBL2074168 0.82 TSHR (0.50)
Nitrobenzene SCHEMBL3237422 0.80 ALDH1A1 (0.73)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121577669-A Amino acid based on difunctional derivatization reagent19Fsabre hyperpolarization method 厦门大学 2026-02-27 CN claimed
EP-3484971-B1 ALTERNATIVE OXIDIZING AGENTS FOR COBALT CHEMICAL-MECHANICAL POLISHING CMC MAT LLC (US) 2025-08-27 EP claimed
CN-119979129-A Cooling liquid, preparation method thereof, battery and power utilization device 宁德时代新能源科技股份有限公司 2025-05-13 CN claimed
CN-118880613-A Modified ecological antibacterial yarn and preparation method thereof 虹纬盐城纺织有限公司 2024-11-01 CN claimed
CN-118652600-A Preparation method of stainless steel surface treatment composite coating 上海盛心不锈钢制品有限公司 2024-09-17 CN claimed
CN-117069649-A Compound and preparation method and application thereof 中山大学 2023-11-17 CN claimed
CN-116589400-A Application of ferric sulfide-ferric oxide catalyzed 4-nitropyridine in preparation of 4-hydroxylamine pyridine 兰州大学 2023-08-15 CN claimed
WO-2023027630-A9 A FLOW REACTOR, METHODS OF FABRICATION AND REACTIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-07-27 WO claimed
US-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 US claimed
CN-111943929-B 2,4-diaminopyridine nitroxides as catalysts and their use in the ring opening of azlactone alcohols 河南师范大学 2023-04-07 CN claimed
CN-1939890-A Production of secondary-amine compound UNIV ZHEJIANG POLYTECHNIC (CN) 2007-04-04 CN claimed
US-6271400-B2 SILICON BASED ANHYDROUS OXIDANT; LIGAND; CATALYTIC ORGANO OR INORGANO RHENIUM OXIDE; CONTROLLING EXCESS WATER CONCENTRATION AND MAXIMIZING MONOPEROXOCOMPLEX FORMATION. THE SCRIPPS RESEARCH INSTITUTE 2001-08-07 US claimed
US-20010001798-A1 EPOXIDATION OF OLEFINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-05-24 US claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
EP-0397474-B1 Photosensitive composition TOSHIBA KK (JP) 1997-12-10 EP claimed
US-4962198-A Process for the hydroxylation of electrophilic aromatic compounds BAYER AKTIENGESELLSCHAFT (DE) 1990-10-09 US claimed
US-4189556-A POLYMERIZING ALPHA-OLEFINS USING A TRANSITION METAL HALIDE-ALUMINUM ALKYL CATALYST, SUBSTITUTED PYRIDINES, QUINOLINES, OR N-OXIDE PYRIDINES STANDARD OIL COMPANY (INDIANA) (US) 1980-02-19 US claimed
US-4138553-A 3-Methylene cephalosporanic acid derivatives and process for preparation thereof TEIJIN LIMITED (JP) 1979-02-06 US claimed