⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27824331 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL11102274 | 0.73 | ALDH1A1 (0.46) | — | |
| SCHEMBL10974401 | 0.70 | TAAR1 (0.54) | — | |
| SCHEMBL7632364 | 0.68 | CYP2C19 (0.37) | — | |
| SCHEMBL7632360 | 0.67 | KMT2A (0.30) | — | |
| SCHEMBL27495748 | 0.67 | — | — | |
| SCHEMBL27518511 | 0.65 | LMNA (0.36) | — | |
| SCHEMBL4975148 | 0.65 | HCAR2 (0.47) | — | |
| SCHEMBL14480075 | 0.65 | — | — | |
| SCHEMBL11011366 | 0.64 | TNFSF11 (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109305964-B | Fungicide hydroximoyl-tetrazole derivatives | 东莞东阳光科研发有限公司 | 2019-10-18 | — | — | CN | disclosed |
| CN-109574945-A | Isoxazoline derivative and its application in agricultural | 东莞东阳光科研发有限公司 | 2019-04-05 | — | — | CN | disclosed |
| WO-2019062802-A1 | ISOXAZOLINE DERIVATIVES AND THEIR USES IN AGRICULTURE RELATED APPLICATION | DONGGUAN HEC TECH R & D CO., LTD. (CN) | 2019-04-04 | — | — | WO | disclosed |
| CN-109305964-A | Fungicide hydroximoyl-tetrazole derivatives | 东莞东阳光科研发有限公司 | 2019-02-05 | — | — | CN | disclosed |
| CN-101405289-A | Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof | WYETH CORP (US) | 2009-04-08 | — | — | CN | disclosed |