⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21728189 | 0.56 | — | — | |
| SCHEMBL17732715 | 0.51 | — | — | |
| SCHEMBL10575399 | 0.48 | — | — | |
| SCHEMBL13655648 | 0.48 | — | — | |
| SCHEMBL20787021 | 0.46 | ALDH1A1 (0.33) | — | |
| SCHEMBL19794315 | 0.44 | ALDH1A1 (0.36) | — | |
| SCHEMBL7420746 | 0.44 | ALDH1A1 (0.32) | — | |
| SCHEMBL8007743 | 0.44 | — | — | |
| SCHEMBL6524112 | 0.44 | ALDH1A1 (0.32) | — | |
| SCHEMBL21669403 | 0.44 | MAPT (0.41) | — |
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 |