⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28340203 | 0.69 | — | — | |
| SCHEMBL827658 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL3949428 | 0.65 | — | — | |
| SCHEMBL329130 | 0.63 | — | — | |
| SCHEMBL20454058 | 0.61 | — | — | |
| SCHEMBL12658970 | 0.61 | — | — | |
| SCHEMBL12659706 | 0.61 | — | — | |
| Water SCHEMBL31012143 | 0.60 | — | — | |
| SCHEMBL29205011 | 0.60 | — | — | |
| SCHEMBL18828398 | 0.59 | — | — |
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 |