⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12267860 | 0.68 | PTGES (0.50) | — | |
| SCHEMBL3413343 | 0.55 | CDC25A (0.37) | — | |
| SCHEMBL10053454 | 0.54 | KDM4E (0.30) | — | |
| SCHEMBL2762744 | 0.53 | MAPT (0.31) | — | |
| SCHEMBL12851540 | 0.53 | TOP2A (0.31) | — | |
| SCHEMBL5609964 | 0.51 | — | — | |
| SCHEMBL13547612 | 0.50 | — | — | |
| SCHEMBL841001 | 0.50 | KDM4E (0.32) | — | |
| SCHEMBL13890656 | 0.50 | DUSP3 (0.42) | — | |
| SCHEMBL5536618 | 0.50 | AURKA (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220127255-A1 | HERBICIDAL COMPOUNDS | SYNGENTA CROP PROTECTION AG (GB) | 2022-04-28 | — | — | US | disclosed |