⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9718030 | 0.78 | — | — | |
| SCHEMBL9718031 | 0.78 | — | — | |
| SCHEMBL2469720 | 0.72 | — | — | |
| SCHEMBL8548310 | 0.71 | — | — | |
| SCHEMBL27268269 | 0.69 | — | — | |
| SCHEMBL20968815 | 0.67 | — | — | |
| SCHEMBL2162965 | 0.66 | — | — | |
| SCHEMBL5619694 | 0.66 | — | — | |
| SCHEMBL20834032 | 0.65 | MEN1 (0.31) | — | |
| SCHEMBL19291027 | 0.65 | MEN1 (0.31) | — |
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-111868042-B | Herbicidal 3-phenylisoxazoline-5-carboxamides of cyclopentylcarboxylic acid derivatives | 拜耳公司 | 2023-12-05 | — | — | CN | disclosed |
| CN-117043140-A | Substituted pyrrolidin-2-ones, salts thereof and their use as herbicidal active substances | 拜耳公司 | 2023-11-10 | — | — | CN | disclosed |
| CN-116554162-A | Benzothiazole compound and synthesis and application thereof | 西北农林科技大学 | 2023-08-08 | — | — | CN | disclosed |
| EP-3325446-A1 | SUBSTITUTED ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS | Bayer CropScience Aktiengesellschaft (DE) | 2018-05-30 | — | — | EP | disclosed |
| EP-0561853-B1 | HERBICIDAL AGENTS CONTAINING SUBSTITUTED 2-AMINOTHIOPHENE | BASF AG (DE) | 1998-02-25 | — | — | EP | disclosed |