⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21634037 | 0.74 | — | — | |
| SCHEMBL21634247 | 0.74 | — | — | |
| SCHEMBL22361821 | 0.70 | — | — | |
| SCHEMBL21634082 | 0.65 | — | — | |
| SCHEMBL21634038 | 0.63 | — | — | |
| SCHEMBL6280449 | 0.63 | — | — | |
| SCHEMBL97013 | 0.63 | — | — | |
| SCHEMBL3288557 | 0.63 | — | — | |
| SCHEMBL6376 | 0.63 | — | — | |
| SCHEMBL22361819 | 0.62 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0505742-A2 | Process for the production of 4-cyanopyrrole compounds substituted at the 3-position | BAYER AG (DE) | 1992-09-30 | — | — | EP | claimed |
| US-20210309619-A1 | ISOXAZOLIN-5-ONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS | HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) | 2021-10-07 | — | — | US | disclosed |
| US-11109593-B2 | Isoxazolin-5-one derivative and herbicide containing same as active ingredient | HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) | 2021-09-07 | — | — | US | disclosed |
| EP-3828176-A1 | ISOXAZOLIN-5-ONE DERIVATIVE, AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT | Hokko Chemical Industry Co., Ltd. (JP) | 2021-06-02 | — | — | EP | disclosed |
| US-20200267985-A1 | ISOXAZOLIN-5-ONE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT | HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) | 2020-08-27 | — | — | US | disclosed |
| WO-2020022350-A1 | ISOXAZOLIN-5-ONE DERIVATIVE, AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT | 北興化学工業株式会社 | 2020-01-30 | — | — | WO | disclosed |