SCHEMBL4187798

SCHEMBL4187798

CC(=O)COC=O

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
SCHEMBL9446260 0.79
SCHEMBL11098606 0.79
SCHEMBL2284869 0.79
SCHEMBL5598577 0.78
SCHEMBL5855181 0.77
SCHEMBL8852906 0.74
SCHEMBL13273724 0.74
SCHEMBL4135612 0.74
SCHEMBL1695588 0.74
SCHEMBL6718386 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 268 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115684448-B Method for detecting residual quantity of fluroxypyr and metabolite thereof in plant source product 泉州海关综合技术服务中心 2024-11-22 CN claimed
CN-115684448-A Method for detecting residual quantity of fluopicoline and metabolites thereof in plant source product 泉州海关综合技术服务中心 2023-02-03 CN claimed
CN-111825585-B Aryl sulfide containing benzylamine structure and synthesis method and application thereof 山东康乔生物科技有限公司 2021-12-14 CN claimed
WO-2021056922-A1 ARYL SULFIDE CONTAINING BENZYLAMINE STRUCTURE, SYNTHESIS METHOD THEREFOR AND APPLICATION THEREOF 山东康乔生物科技有限公司 2021-04-01 WO claimed
CN-111825585-A Aryl sulfide containing benzylamine structure and synthesis method and application thereof 山东康乔生物科技有限公司 2020-10-27 CN claimed
CN-106970178-B It is a kind of based on hydrophobic nonionic exchange Solid Phase Extraction cigarette mainstream flue gas in the peculiar N- nitrosamine of tobacco extraction and assay method 国家烟草质量监督检验中心 2018-11-09 CN claimed
CN-107064356-A The extraction of the peculiar N nitrosamine of tobacco and assay method in a kind of electronic cigarette liquid that SPE is exchanged based on hydrophobic nonionic 国家烟草质量监督检验中心 2017-08-18 CN claimed
CN-107064385-A The extraction of N nitrosamine and assay method in a kind of bolete that SPE is exchanged based on hydrophobic nonionic 国家烟草质量监督检验中心 2017-08-18 CN claimed
CN-107064355-A A kind of heating for exchanging SPE based on hydrophobic nonionic is not burnt the extraction of the peculiar N nitrosamine of tobacco and assay method in cigarette 国家烟草质量监督检验中心 2017-08-18 CN claimed
CN-107064354-A The extraction of N nitrosamine and assay method in a kind of solanaceous vegetable that SPE is exchanged based on hydrophobic nonionic 国家烟草质量监督检验中心 2017-08-18 CN claimed
US-4801703-A PHOSPHORUS COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-01-31 US claimed
US-4788185-A Cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-29 US claimed
US-4684724-A ANTIBIOTICS, BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-08-04 US claimed
US-4675397-A MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-06-23 US claimed
US-4665067-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 US claimed
US-4560508-A BETA-LACTAMASE INHIBITORS, ANINICROBIAL AGENT, CHEMICAL INTERMEDIATE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-12-24 US claimed
US-4550105-A BETA-LACTAMASE INHIBITORS, ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-29 US claimed
US-4533495-A Method of producing 2-azetidinone-1-sulfonic acid compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-08-06 US claimed
EP-0053387-A1 Method of preparing 1-sulfo-2-oxoazetidine derivatives and intermediates therefor Takeda Chemical Industries, Ltd. (JP) 1982-06-09 EP claimed
US-4180571-A Arylmalonamido-1-oxadethiacephalosporins SHIONOGI & CO., LTD. (JP) 1979-12-25 US claimed