SCHEMBL468543

SCHEMBL468543

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

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
Benzene SCHEMBL27351789 0.91 LMNA (0.42)
SCHEMBL1236222 0.80
SCHEMBL11366612 0.78
SCHEMBL66347 0.76
SCHEMBL5199028 0.76
SCHEMBL185761 0.72
SCHEMBL28408169 0.71
SCHEMBL719096 0.69 ALDH1A1 (0.67)
SCHEMBL1011508 0.69
Nitroethane SCHEMBL27907184 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114835586-B Efficient preparation method for N, N-diethyl ethylenediamine 泽升科技(广州)有限公司 2022-09-13 CN claimed
CN-114835586-A Efficient preparation method for N, N-diethyl ethylenediamine 泽升科技(广州)有限公司 2022-08-02 CN claimed
CN-107382736-B The synthetic method of the chloro- 2- nitroethylene of 1,1- bis- and Nitenpyram 江苏克胜集团股份有限公司 2019-09-03 CN claimed
CN-109369618-A Cook different foods in one pot and prepare the chloro- 5-((2-(Nitromethylene of 2-) imidazoline -1- base) methyl) and pyridine method 上海生农生化制品股份有限公司 2019-02-22 CN claimed
CN-107382736-A The synthetic method of the nitroethylene of 1,1 dichloro 2 and Nitenpyram 江苏克胜集团股份有限公司 2017-11-24 CN claimed
CN-106885855-A A kind of Gas Chromatographic Determination of 1,1,1 3 chloronitroethane 江苏泰洁检测技术有限公司 2017-06-23 CN claimed
CN-105330593-A Improved preparation method of nitenpyram SHANGHAI JINJING CHEMICAL CO LTD 2016-02-17 CN claimed
CN-103554176-A Thiophosphoryl compounds UNIV QINGDAO AGRICULTURAL 2014-02-05 CN claimed
CN-102816112-B Method for preparing pesticide nitenpyram ZHEJIANG HEBEN PESTICIDE & CHEMICALS CO LTD 2014-01-22 CN claimed
CN-102816112-A Method for preparing pesticide nitenpyram ZHEJIANG HEBEN PESTICIDE & CHEMICALS CO LTD 2012-12-12 CN claimed
CN-102633740-A Anabasine compound, preparation method and application of nabasine compound JIANGSU AGROCHEM LAB CO LTD 2012-08-15 CN claimed
WO-2009018368-A1 COMBINATION TREATMENT OF NMDA (N-METHYL-D-ASPARTATE)-ENHANCER, GLYCINE TRANSPORTER INHIBITOR, D-AMINO ACID OXIDASE INHIBITOR (DAAOI) FOR NEUROPSYCHIATRIC DISORDERS LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2009-02-05 WO claimed
EP-0669305-B1 HYDROFLUOROHALOCARBON DECOMPOSITION INHIBITOR AND METHOD DAIKIN IND LTD (JP) 1998-10-14 EP claimed
US-5696306-A COMPOSITION COMPRISING FLUORINE CONTAINING HYDROCARBON AND STABILIZER COMPRISING SPECIFIED CARBOXYLIC ACID ESTER, NITRILE COMPOUND, CARBONYL COMPOUND, HALOGENATED NITRO COMPOUND OR MIXTURE OF ORGANIC ACID AND AMINE DAIKIN INDUSTRIES, LTD. (JP) 1997-12-09 US claimed
EP-0669305-A1 HYDROFLUOROHALOCARBON DECOMPOSITION INHIBITOR AND METHOD DAIKIN INDUSTRIES, LIMITED (JP) 1995-08-30 EP claimed
CN-1095076-A The decomposing inhibitor and the inhibition decomposition method thereof that are used for the halohydrocarbon of hydrogeneous and fluorine DAIKIN IND LTD (JP) 1994-11-16 CN claimed
CN-114835586-B Efficient preparation method for N, N-diethyl ethylenediamine 泽升科技(广州)有限公司 2022-09-13 CN disclosed
CN-114835586-B Efficient preparation method for N, N-diethyl ethylenediamine 泽升科技(广州)有限公司 2022-09-13 CN disclosed
EP-0270071-A2 Process for preparing modified diene polymer rubbers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-06-08 EP disclosed
US-3943154-A PLANT AND ANIMAL GROWTH REGULATORS SANITIZED INCORPORATED (US) 1976-03-09 US disclosed