⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2585418 | 1.00 | — | — | |
| SCHEMBL13423857 | 0.76 | — | — | |
| SCHEMBL727585 | 0.76 | — | — | |
| SCHEMBL726605 | 0.76 | — | — | |
| SCHEMBL7025707 | 0.76 | — | — | |
| SCHEMBL33040 | 0.71 | — | — | |
| SCHEMBL8225551 | 0.71 | — | — | |
| Bicarbonate SCHEMBL1058643 | 0.70 | FFAR3 (0.50) | — | |
| Bicarbonate SCHEMBL27793478 | 0.70 | FFAR3 (0.50) | — | |
| SCHEMBL16418884 | 0.68 | — | — |
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 |