⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24225517 | 0.70 | CYP11B2 (0.41) | — | |
| SCHEMBL20843944 | 0.70 | — | — | |
| SCHEMBL11886611 | 0.66 | MAPT (0.37) | — | |
| SCHEMBL21720580 | 0.65 | MEN1 (0.34) | — | |
| SCHEMBL12967211 | 0.63 | PDE4A (0.38) | — | |
| SCHEMBL1287389 | 0.63 | CA12 (0.45) | — | |
| SCHEMBL10825154 | 0.62 | — | — | |
| SCHEMBL4479222 | 0.62 | NQO1 (0.43) | — | |
| SCHEMBL11886614 | 0.61 | SLC22A12 (0.36) | — | |
| SCHEMBL183395 | 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 |
|---|---|---|---|---|---|---|---|
| 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 |