⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21633286 | 0.81 | — | — | |
| SCHEMBL21633244 | 0.79 | — | — | |
| SCHEMBL21633467 | 0.77 | — | — | |
| SCHEMBL21633240 | 0.73 | — | — | |
| SCHEMBL25808354 | 0.58 | HRH1 (0.36) | — | |
| SCHEMBL16910794 | 0.57 | — | — | |
| SCHEMBL7959542 | 0.57 | — | — | |
| SCHEMBL9584344 | 0.53 | HRH2 (0.35) | — | |
| SCHEMBL11995381 | 0.52 | PGK1 (0.38) | — | |
| SCHEMBL9875963 | 0.52 | HDAC8 (0.32) | — |
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-2020022412-A1 | PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | 三井化学アグロ株式会社 | 2020-01-30 | — | — | WO | disclosed |