⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7456466 | 0.56 | — | — | |
| SCHEMBL818956 | 0.54 | — | — | |
| SCHEMBL4568013 | 0.48 | — | — | |
| SCHEMBL15214964 | 0.47 | — | — | |
| SCHEMBL905165 | 0.43 | — | — | |
| SCHEMBL17055584 | 0.43 | INMT (0.32) | — | |
| SCHEMBL7009257 | 0.43 | — | — | |
| SCHEMBL1445441 | 0.43 | — | — | |
| SCHEMBL1445443 | 0.43 | — | — | |
| SCHEMBL13238885 | 0.41 | INMT (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 2 patents. 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 |
| EP-2970267-B1 | P2X7 MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2017-05-24 | — | — | EP | disclosed |