⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21285101 | 0.90 | EPHX2 (0.32) | — | |
| SCHEMBL21285249 | 0.90 | HIF1A (0.31) | — | |
| SCHEMBL24426506 | 0.90 | — | — | |
| SCHEMBL24426524 | 0.88 | GRM5 (0.30) | — | |
| SCHEMBL21285151 | 0.88 | — | — | |
| SCHEMBL24426556 | 0.86 | — | — | |
| SCHEMBL21344881 | 0.85 | — | — | |
| SCHEMBL24426514 | 0.85 | — | — | |
| SCHEMBL24426550 | 0.82 | MEN1 (0.36) | — | |
| SCHEMBL21344250 | 0.81 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3762378-B1 | HERBICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2022-05-18 | — | — | EP | disclosed |