⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8320863 | 0.66 | KEAP1 (0.33) | — | |
| SCHEMBL27694843 | 0.66 | KEAP1 (0.33) | — | |
| SCHEMBL20844211 | 0.65 | — | — | |
| SCHEMBL16378459 | 0.65 | — | — | |
| SCHEMBL4547386 | 0.62 | — | — | |
| SCHEMBL5461417 | 0.62 | TSHR (0.32) | — | |
| SCHEMBL21737148 | 0.60 | — | — | |
| SCHEMBL28109999 | 0.60 | ALDH1A1 (0.36) | — | |
| SCHEMBL19061847 | 0.60 | — | — | |
| SCHEMBL20130574 | 0.60 | — | — |
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 |