⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9847889 | 0.53 | TNF (0.46) | — | |
| SCHEMBL17842702 | 0.53 | TNF (0.35) | — | |
| SCHEMBL944691 | 0.53 | — | — | |
| SCHEMBL11451405 | 0.52 | TSHR (0.41) | — | |
| SCHEMBL9358268 | 0.51 | CYP3A4 (0.41) | — | |
| SCHEMBL17964049 | 0.50 | TRPV4 (0.41) | — | |
| SCHEMBL29754733 | 0.50 | TRPV4 (0.41) | — | |
| SCHEMBL4453298 | 0.49 | GRIN2D (0.43) | — | |
| SCHEMBL1043332 | 0.49 | CES2 (0.36) | — | |
| SCHEMBL1042133 | 0.49 | — | — |
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 |