⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23960297 | 0.79 | — | — | |
| SCHEMBL28118419 | 0.78 | — | — | |
| SCHEMBL8076908 | 0.75 | — | — | |
| SCHEMBL22789086 | 0.73 | TKT (0.32) | — | |
| SCHEMBL21737582 | 0.71 | — | — | |
| SCHEMBL7463317 | 0.70 | GLA (0.31) | — | |
| SCHEMBL11985908 | 0.69 | — | — | |
| SCHEMBL25128201 | 0.68 | ELANE (0.34) | — | |
| SCHEMBL29504663 | 0.67 | — | — | |
| SCHEMBL14404559 | 0.67 | CTRC (0.30) | — |
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 |