⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8366251 | 0.92 | — | — | |
| SCHEMBL4239484 | 0.92 | — | — | |
| SCHEMBL9258454 | 0.90 | — | — | |
| SCHEMBL6058335 | 0.86 | — | — | |
| SCHEMBL3419762 | 0.84 | — | — | |
| SCHEMBL7111854 | 0.82 | — | — | |
| SCHEMBL5699291 | 0.82 | — | — | |
| SCHEMBL235343 | 0.82 | — | — | |
| SCHEMBL16703986 | 0.82 | — | — | |
| SCHEMBL7685464 | 0.82 | — | — |
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-1999048890-A1 | HERBICIDAL TETRAZOLINONES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-09-30 | — | — | WO | disclosed |