⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3715393 | 0.71 | CES1 (0.39) | — | |
| SCHEMBL225071 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6193713 | 0.69 | — | — | |
| SCHEMBL20273158 | 0.69 | — | — | |
| SCHEMBL8007927 | 0.67 | — | — | |
| SCHEMBL8287305 | 0.67 | — | — | |
| SCHEMBL1097945 | 0.67 | — | — | |
| SCHEMBL2550983 | 0.67 | — | — | |
| SCHEMBL847407 | 0.67 | — | — | |
| SCHEMBL289053 | 0.67 | — | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3987040-A | 3-SUBSTITUTED METHYL-7-ACYLAMINO-7-METHOXY-2-CEPHEM-4-CARBOXYLIC ACID AND ITS ESTERS | MERCK & CO., INC. (US) | 1976-10-19 | — | — | US | claimed |
| CN-105593232-B | Benzoxazoloxazinone compounds as coagulation factor Xa inhibitors | 华北制药集团新药研究开发有限责任公司 | 2018-06-26 | — | — | CN | disclosed |
| CN-108069957-A | Prolyl hydroxylase inhibitors and application thereof | 广东东阳光药业有限公司 | 2018-05-25 | — | — | CN | disclosed |
| CN-105218560-B | The synthesis technique of the chlorothiophene of 7 bromine 4 simultaneously [3,2 D] pyrimidine | 上海泰坦科技股份有限公司 | 2017-09-29 | — | — | CN | disclosed |
| CN-105593232-A | Benzoxazoloxazinone compounds as coagulation factor Xa inhibitors | NORTH CHINA PHARMACEUTICAL NEW DRUG R & D CO LTD | 2016-05-18 | — | — | CN | disclosed |
| CN-102786482-A | Akt protein kinase inhibitors | ARRAY BIOPHARMA INC | 2012-11-21 | — | — | CN | disclosed |
| CN-101687883-B | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMA CO LTD | 2012-05-23 | — | — | CN | disclosed |
| CN-1212861-C | Preventives or remedies for myocarditis, dilated cardiomyopathy and cardiac insufficiency containing NF-K B inhibitors as the active ingredient | DAIICHI SUNTORY PHARMACEATICAL (JP) | 2005-08-03 | — | — | CN | disclosed |
| CN-1335777-A | Preventives or remedies for myocarditis, dilated cardiomyopathy and cardiac insufficiency containing NF-K B inhibitors as the active ingredient | SUNTORY LTD (JP) | 2002-02-13 | — | — | CN | disclosed |
| CN-1070192-C | Thipyridines for use in control of helicobacter bacteria | BYK GULDEN LOMBERG CHEM FAB (DE) | 2001-08-29 | — | — | CN | disclosed |
| EP-0683776-A1 | SUBSTITUTED HETEROARYLALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1995-11-29 | — | — | EP | disclosed |
| WO-1994019346-A1 | SUBSTITUTED HETEROARYLALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1994-09-01 | — | — | WO | disclosed |
| EP-0034924-B1 | PROCESS FOR PREPARING 3-IODOMETHYL CEPHALOSPORINS | ELI LILLY AND COMPANY (US) | 1984-07-04 | — | — | EP | disclosed |
| EP-0034924-A2 | Process for preparing 3-iodomethyl cephalosporins | ELI LILLY AND COMPANY (US) | 1981-09-02 | — | — | EP | disclosed |
| US-4266049-A | Process for 3-iodomethyl cephalosporins | ELI LILLY AND COMPANY (US) | 1981-05-05 | — | — | US | disclosed |
| US-4154845-A | ANTIBIOTIC, BACTERICIDE | MERCK & CO., INC. (US) | 1979-05-15 | — | — | US | disclosed |
| US-4071529-A | Derivatives of 6-aminopenicillanic acid | MERCK & CO., INC. (US) | 1978-01-31 | — | — | US | disclosed |
| US-4035359-A | 6α, β-Substituted penicillin derivatives | MERCK & CO., INC. (US) | 1977-07-12 | — | — | US | disclosed |
| US-4008231-A | Preparation of 3-methoxymethylcephalosporins | ELI LILLY AND COMPANY (US) | 1977-02-15 | — | — | US | disclosed |
| US-3987040-A | 3-SUBSTITUTED METHYL-7-ACYLAMINO-7-METHOXY-2-CEPHEM-4-CARBOXYLIC ACID AND ITS ESTERS | MERCK & CO., INC. (US) | 1976-10-19 | — | — | US | disclosed |