⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22714500 | 1.00 | — | — | |
| SCHEMBL27959830 | 0.88 | CA1 (0.37) | — | |
| SCHEMBL22714485 | 0.86 | CA1 (0.32) | — | |
| SCHEMBL29438155 | 0.86 | CA1 (0.32) | — | |
| SCHEMBL31468694 | 0.84 | — | — | |
| SCHEMBL31468670 | 0.83 | CA1 (0.30) | — | |
| SCHEMBL22714340 | 0.81 | CA1 (0.36) | — | |
| SCHEMBL22714349 | 0.81 | CA1 (0.36) | — | |
| SCHEMBL22714412 | 0.81 | CA1 (0.36) | — | |
| SCHEMBL29438154 | 0.81 | CA1 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113874368-B | Herbicidal compounds | 先正达农作物保护股份公司 | 2024-03-08 | — | — | CN | disclosed |
| EP-3976603-A1 | HERBICIDAL COMPOUNDS | Syngenta Crop Protection AG (CH) | 2022-04-06 | — | — | EP | disclosed |