⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4515395 | 1.00 | — | — | |
| SCHEMBL4516706 | 0.75 | — | — | |
| SCHEMBL28581083 | 0.72 | TDP1 (0.50) | — | |
| SCHEMBL3387055 | 0.72 | — | — | |
| SCHEMBL706688 | 0.69 | — | — | |
| SCHEMBL4507839 | 0.69 | — | — | |
| SCHEMBL10387230 | 0.67 | — | — | |
| SCHEMBL9438568 | 0.67 | — | — | |
| SCHEMBL10672825 | 0.67 | — | — | |
| SCHEMBL4515397 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001030782-A2 | NOVEL HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2001-05-03 | — | — | WO | disclosed |