⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21728052 | 0.75 | — | — | |
| SCHEMBL9814272 | 0.65 | — | — | |
| SCHEMBL11394412 | 0.63 | — | — | |
| SCHEMBL15870461 | 0.60 | — | — | |
| SCHEMBL422721 | 0.60 | — | — | |
| SCHEMBL8141559 | 0.60 | — | — | |
| SCHEMBL422720 | 0.60 | — | — | |
| SCHEMBL8900657 | 0.58 | — | — | |
| SCHEMBL9151612 | 0.58 | — | — | |
| SCHEMBL419788 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3611166-A1 | PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | Mitsui Chemicals Agro, Inc. (JP) | 2020-02-19 | — | — | EP | disclosed |