⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8536397 | 0.81 | — | — | |
| SCHEMBL10834496 | 0.77 | — | — | |
| Paraquat SCHEMBL12003504 | 0.75 | SLC6A4 (0.48) | — | |
| SCHEMBL11399036 | 0.74 | — | — | |
| SCHEMBL9419419 | 0.74 | — | — | |
| SCHEMBL17348555 | 0.70 | LMNA (0.33) | — | |
| SCHEMBL8223226 | 0.68 | — | — | |
| SCHEMBL12360538 | 0.65 | — | — | |
| SCHEMBL9259120 | 0.65 | — | — | |
| SCHEMBL14097182 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992020684-A1 | HERBICIDAL OXATRICYCLIC ETHERS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-11-26 | — | — | WO | disclosed |
| WO-1992010501-A1 | HERBICIDAL ETHERS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-06-25 | — | — | WO | disclosed |