⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4650391 | 0.76 | — | — | |
| SCHEMBL4651547 | 0.76 | — | — | |
| SCHEMBL17159669 | 0.70 | — | — | |
| SCHEMBL1559080 | 0.68 | — | — | |
| SCHEMBL4650612 | 0.65 | — | — | |
| SCHEMBL8303728 | 0.56 | — | — | |
| SCHEMBL8309365 | 0.51 | CA2 (0.41) | — | |
| SCHEMBL8307495 | 0.49 | — | — | |
| SCHEMBL11008628 | 0.48 | — | — | |
| SCHEMBL9902378 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1965644-A1 | NOVEL HERBICIDES | Syngenta Limited (GB) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007071900-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2007-06-28 | — | — | WO | disclosed |