⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21737373 | 0.77 | — | — | |
| SCHEMBL20844217 | 0.77 | — | — | |
| SCHEMBL21736999 | 0.72 | — | — | |
| SCHEMBL20844234 | 0.72 | — | — | |
| SCHEMBL20844208 | 0.72 | — | — | |
| SCHEMBL20844235 | 0.72 | — | — | |
| SCHEMBL20844184 | 0.72 | — | — | |
| SCHEMBL33270 | 0.69 | — | — | |
| SCHEMBL24550532 | 0.69 | HSD17B10 (0.50) | — | |
| SCHEMBL21737037 | 0.69 | — | — |
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-2019059161-A1 | PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL GERMICIDE HAVING SAME AS ACTIVE INGREDIENT | 三井化学アグロ株式会社 | 2019-03-28 | — | — | WO | disclosed |