⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4171947 | 0.88 | — | — | |
| SCHEMBL4171922 | 0.83 | — | — | |
| SCHEMBL4170976 | 0.77 | — | — | |
| SCHEMBL5393253 | 0.71 | — | — | |
| SCHEMBL4169667 | 0.70 | — | — | |
| SCHEMBL4231986 | 0.69 | — | — | |
| SCHEMBL4167434 | 0.65 | MEN1 (0.31) | — | |
| SCHEMBL4167245 | 0.63 | ALDH1A1 (0.30) | — | |
| SCHEMBL4173836 | 0.62 | — | — | |
| SCHEMBL5374644 | 0.61 | — | — |
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-20090048112-A1 | Novel Herbicides | SYNGENTA LIMITED (GB) | 2009-02-19 | — | — | US | disclosed |