⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20556429 | 0.73 | — | — | |
| SCHEMBL5398583 | 0.71 | — | — | |
| SCHEMBL21634152 | 0.71 | — | — | |
| SCHEMBL10403085 | 0.71 | — | — | |
| SCHEMBL9117801 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL43809 | 0.69 | — | — | |
| SCHEMBL6698611 | 0.69 | — | — | |
| SCHEMBL10637170 | 0.67 | — | — | |
| SCHEMBL11173104 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL384755 | 0.66 | ALDH1A1 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0371390-A2 | Amino acid derivatives | MERCK PATENT GmbH (DE) | 1990-06-06 | — | — | EP | disclosed |