⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28197281 | 0.83 | ALDH1A1 (0.36) | — | |
| SCHEMBL12802414 | 0.78 | RAPGEF4 (0.32) | — | |
| SCHEMBL12802106 | 0.76 | KMT2A (0.33) | — | |
| SCHEMBL15960055 | 0.75 | PNMT (0.55) | — | |
| SCHEMBL26666760 | 0.72 | TLR8 (0.30) | — | |
| SCHEMBL26915673 | 0.72 | RAB9A (0.33) | — | |
| SCHEMBL10830809 | 0.71 | TDP1 (0.37) | — | |
| SCHEMBL12802091 | 0.71 | TSHR (0.38) | — | |
| SCHEMBL12802272 | 0.71 | TSHR (0.43) | — | |
| SCHEMBL21736835 | 0.71 | PNMT (0.35) | — |
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 |