⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3154786 | 1.00 | — | — | |
| SCHEMBL11920713 | 0.89 | NPSR1 (0.36) | — | |
| SCHEMBL1107131 | 0.87 | NPSR1 (0.48) | — | |
| SCHEMBL11920708 | 0.84 | CYP3A4 (0.41) | — | |
| SCHEMBL15166693 | 0.82 | NPSR1 (0.35) | — | |
| SCHEMBL10751116 | 0.74 | — | — | |
| SCHEMBL28839883 | 0.72 | TSHR (0.40) | — | |
| SCHEMBL16165963 | 0.72 | — | — | |
| SCHEMBL31203006 | 0.72 | NPSR1 (0.39) | — | |
| SCHEMBL5075888 | 0.72 | DGAT1 (0.33) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116874358-B | Synthesis method of prothioconazole intermediate 2-chlorobenzyl- (1-chlorocyclopropyl) ketone | 辽宁众辉生物科技有限公司 | 2024-08-02 | — | — | CN | claimed |
| CN-116874358-A | Clean synthesis method of prothioconazole intermediate 2-chlorobenzyl- (1-chlorocyclopropyl) ketone | 辽宁众辉生物科技有限公司 | 2023-10-13 | — | — | CN | claimed |
| US-8680290-B2 | Isoxazoline derivatives and their use as herbicides | SYNGENTA LIMITED (GB) | 2014-03-25 | — | — | US | claimed |
| CN-101052628-B | Isoxazoline derivatives and herbicidal use thereof | SYNGENTA LTD | 2011-07-27 | — | — | CN | claimed |
| EP-1789401-B1 | ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES | SYNGENTA LTD (GB) | 2010-03-03 | — | — | EP | claimed |
| CN-116874358-B | Synthesis method of prothioconazole intermediate 2-chlorobenzyl- (1-chlorocyclopropyl) ketone | 辽宁众辉生物科技有限公司 | 2024-08-02 | — | — | CN | disclosed |
| CN-115010616-B | Synthesis method of 1-aminocyclopropane hydrochloride | 常州锐博生物科技有限公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-116874358-A | Clean synthesis method of prothioconazole intermediate 2-chlorobenzyl- (1-chlorocyclopropyl) ketone | 辽宁众辉生物科技有限公司 | 2023-10-13 | — | — | CN | disclosed |
| CN-115010616-A | Synthesis method of 1-aminocyclopropane carboxylic acid hydrochloride | 常州锐博生物科技有限公司 | 2022-09-06 | — | — | CN | disclosed |
| WO-2020134104-A1 | PREPARATION METHOD FOR PROTHIOCONAZOLE | 安徽久易农业股份有限公司 | 2020-07-02 | — | — | WO | disclosed |
| US-8680290-B2 | Isoxazoline derivatives and their use as herbicides | SYNGENTA LIMITED (GB) | 2014-03-25 | — | — | US | disclosed |
| CN-101052628-B | Isoxazoline derivatives and herbicidal use thereof | SYNGENTA LTD | 2011-07-27 | — | — | CN | disclosed |
| EP-1789401-B1 | ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES | SYNGENTA LTD (GB) | 2010-03-03 | — | — | EP | disclosed |
| US-20080139390-A1 | Isoxazoline Derivatives and Their Use as Herbicides | SYNGENTA LIMITED (GB) | 2008-06-12 | — | — | US | disclosed |
| CN-101052628-A | Isoxazolines derivatives and its weedicide application | ZENECA LTD (GB) | 2007-10-10 | — | — | CN | disclosed |
| EP-1789401-A1 | ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES | Syngenta Limited (GB) | 2007-05-30 | — | — | EP | disclosed |
| WO-2006024820-A1 | ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES | SYNGENTA LIMITED (GB) | 2006-03-09 | — | — | WO | disclosed |