⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6235022 | 1.00 | — | — | |
| SCHEMBL6934174 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL1114502 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL27934957 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL5288 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL4967118 | 0.72 | — | — | |
| SCHEMBL6934061 | 0.71 | — | — | |
| SCHEMBL27795299 | 0.71 | — | — | |
| SCHEMBL28486052 | 0.71 | — | — | |
| SCHEMBL11049219 | 0.70 | ALDH1A1 (0.43) | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115806531-A | Preparation method of 4, 5-dihydro-5, 5-diphenyl isoxazole-3-formic acid and derivatives thereof | 新发药业有限公司 | 2023-03-17 | — | — | CN | disclosed |
| CN-115806530-A | Preparation method of isoxadifen | 新发药业有限公司 | 2023-03-17 | — | — | CN | disclosed |
| CN-108026090-B | Isoxazoline substituted benzamides and analogs as pesticides | 先正达参股股份有限公司 | 2021-10-26 | — | — | CN | disclosed |
| CN-113135866-A | Ethyl bisbenzoxazolate with few impurities and preparation method thereof | 河北谷之润科技有限公司 | 2021-07-20 | — | — | CN | disclosed |
| CN-112979494-A | Method for synthesizing bisbenzoxazole acid intermediate chlorooximido ethyl acetate | 河南佰研生物科技有限公司 | 2021-06-18 | — | — | CN | disclosed |
| CN-108440435-B | Synthetic method of isoxadifen suitable for industrial production | 重庆化工职业学院 | 2020-10-09 | — | — | CN | disclosed |
| CN-108440435-B | Synthetic method of isoxadifen suitable for industrial production | 重庆化工职业学院 | 2020-10-09 | — | — | CN | disclosed |
| CN-111718308-A | Preparation method of novel weeding safener isoxadifen | 江苏省激素研究所股份有限公司 | 2020-09-29 | — | — | CN | disclosed |
| EP-3025716-B1 | SUBSTANCE FOR TREATMENT OR RELIEF OF PAIN | SHANGHAI INST BIOLOGICAL SCIENCES CAS (CN) | 2018-04-04 | — | — | EP | disclosed |
| EP-3025716-A1 | SUBSTANCE FOR TREATMENT OR RELIEF OF PAIN | Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences (CN) | 2016-06-01 | — | — | EP | disclosed |
| CN-101096368-A | Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists | NPS PHARMA INC (SE) | 2008-01-02 | — | — | CN | disclosed |
| CN-1984907-A | Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists | ASTRAZENECA AB (SE) | 2007-06-20 | — | — | CN | disclosed |
| CN-1315840-C | Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods | GRUENENTHAL GMBH (DE) | 2007-05-16 | — | — | CN | disclosed |
| CN-1894241-A | \"1, 2, 4\" oxadiazoles as modulators of metabotropic glutamate receptor-5 | ASTRAZENECA AB (SE) | 2007-01-10 | — | — | CN | disclosed |
| US-20050250822-A1 | Substituted benzanilide compound and noxious organism controlling agent | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2005-11-10 | — | — | US | disclosed |
| CN-1691944-A | Oxadiazoles as modulators of metabotropic glutamate receptor-5 | ASTRAZENECA AB (SE) | 2005-11-02 | — | — | CN | disclosed |
| EP-1538138-A1 | SUBSTITUTED BENZANILIDE COMPOUND AND PEST CONTROL AGENT | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 2005-06-08 | — | — | EP | disclosed |
| CN-1547584-A | Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods | — | 2004-11-17 | — | — | CN | disclosed |
| CN-1149213-C | Substituted benzoylisoxazoles and the use thereof as herbicides | — | 2004-05-12 | — | — | CN | disclosed |
| CN-1289338-A | 2-(purin-9-yl)-tetahydrofuran-3,4-diol derivatives | GLAXO GROUP LTD (GB) | 2001-03-28 | — | — | CN | disclosed |