⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16417988 | 0.75 | — | — | |
| SCHEMBL4305992 | 0.73 | — | — | |
| SCHEMBL21720087 | 0.71 | KMT2A (0.31) | — | |
| SCHEMBL21720603 | 0.62 | — | — | |
| SCHEMBL12649521 | 0.62 | DYRK1A (0.39) | — | |
| SCHEMBL9344676 | 0.59 | DYRK1A (0.34) | — | |
| SCHEMBL31631901 | 0.59 | PIK3CA (0.42) | — | |
| SCHEMBL5154943 | 0.59 | — | — | |
| SCHEMBL20843959 | 0.58 | — | — | |
| SCHEMBL22833318 | 0.58 | PIK3CA (0.44) | — |
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-3611165-A1 | PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | Mitsui Chemicals Agro, Inc. (JP) | 2020-02-19 | — | — | EP | disclosed |