⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5139807 | 0.67 | MAPT (0.46) | — | |
| SCHEMBL3293293 | 0.66 | MAPT (0.39) | — | |
| SCHEMBL6322668 | 0.65 | LMNA (0.34) | — | |
| SCHEMBL5152972 | 0.62 | — | — | |
| SCHEMBL2882932 | 0.62 | — | — | |
| SCHEMBL3294386 | 0.62 | TSHR (0.46) | — | |
| SCHEMBL2047628 | 0.60 | — | — | |
| SCHEMBL6889892 | 0.60 | IDO1 (0.33) | — | |
| Fluoride SCHEMBL10361835 | 0.60 | — | — | |
| SCHEMBL3293002 | 0.59 | PDE10A (0.36) | — |
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 114 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107235969-B | Key intermediate for synthesizing hexahydropyridine-2, 3-indole-2-ketone framework compound and preparation method and application thereof | 贵州大学 | 2021-07-06 | — | — | CN | claimed |
| CN-108658884-B | Synthetic method of 3-nitroisoxazole derivative | 沅江华龙催化科技有限公司 | 2020-06-16 | — | — | CN | claimed |
| CN-110684032-A | Pyrazolone or benzofuranone compound spliced by xanthone isoxazole skeleton and preparation method and application thereof | 贵州大学 | 2020-01-14 | — | — | CN | claimed |
| CN-110156796-A | Isoxazole splices double loop coil Oxoindole compounds of 3,3 '-thio pyrrolinones and preparation method and application | 贵州大学 | 2019-08-23 | — | — | CN | claimed |
| CN-106866686-B | Isoxazole splices double loop coil Oxoindole compounds of 3,3 '-pyrroles and preparation method and application | 贵州大学 | 2019-03-29 | — | — | CN | claimed |
| CN-109503634-A | A kind of application of Isoxazole derivative and its synthetic method and detection hydrogen sulfide | 山西大学 | 2019-03-22 | — | — | CN | claimed |
| CN-105111198-B | Nitro isoxazole splices 2-Pyrrolidone class compound and preparation method and application | 贵州大学 | 2018-08-07 | — | — | CN | claimed |
| CN-107235969-A | Synthesize key intermediate of the ketone framework compound of 2,3 diindyl of hexahydropyridine 2 and preparation method and application | 贵州大学 | 2017-10-10 | — | — | CN | claimed |
| CN-106866686-A | Isoxazole splices double volution Oxoindole compounds of 3,3 ' pyrroles and preparation method and application | 贵州大学 | 2017-06-20 | — | — | CN | claimed |
| CN-105111198-A | Nitryl isoxazole spliced 2-pyrrolidone compounds, and preparation method and application thereof | UNIV GUIZHOU | 2015-12-02 | — | — | CN | claimed |
| CN-102105623-B | Electrolytic gold plating solution and gold film obtained using same | JAPAN PURE CHEMICAL CO LTD | 2013-10-02 | — | — | CN | claimed |
| CN-102105623-A | Electrolytic gold plating solution and gold film obtained using same | JAPAN PURE CHEMICAL CO LTD | 2011-06-22 | — | — | CN | claimed |
| US-6835842-B2 | Microbiocides; bactericides | BAYER AKTIENGESELLSCHAFT (DE) | 2004-12-28 | — | — | US | claimed |
| US-20030207929-A1 | 3-nitroisoxazoles and their use in the protection of materials | LANXESS DEUTSCHLAND GMBH (DE) | 2003-11-06 | — | — | US | claimed |
| US-20030166698-A1 | 3-NITROISOXAZOLES AND THEIR USE IN THE PROTECTION OF MATERIALS | LANXESS DEUTSCHLAND GMBH (DE) | 2003-09-04 | — | — | US | claimed |
| EP-1335909-A1 | 3-NITROISOXAZOLES AND THEIR USE IN THE PROTECTION OF MATERIALS | Bayer Aktiengesellschaft (DE) | 2003-08-20 | — | — | EP | claimed |
| WO-2002034731-A1 | 3-NITROISOXAZOLES AND THEIR USE IN THE PROTECTION OF MATERIALS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-05-02 | — | — | WO | claimed |
| US-20250108036-A1 | COMPOSITIONS FOR REMOVING SENESCENT CELLS AND USES THEREOF | LIFECEUTIX CO., LTD. (KR) | 2025-04-03 | — | — | US | disclosed |
| US-4172079-A | Preparation of 4-nitroisoxazoles | TEXACO INC. (US) | 1979-10-23 | — | — | US | disclosed |
| US-4061651-A | Preparation of 3,5-disubstituted-4-nitroisoxazoles | TEXACO INC. (US) | 1977-12-06 | — | — | US | disclosed |