⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18882779 | 0.69 | DPP4 (0.33) | — | |
| SCHEMBL18700724 | 0.69 | HDAC1 (0.31) | — | |
| SCHEMBL21719040 | 0.68 | — | — | |
| SCHEMBL21789250 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL22767477 | 0.68 | EIF4A3 (0.31) | — | |
| SCHEMBL29580297 | 0.67 | CA12 (0.33) | — | |
| SCHEMBL8277424 | 0.67 | RAPGEF4 (0.33) | — | |
| SCHEMBL3219729 | 0.67 | CA12 (0.33) | — | |
| SCHEMBL18310664 | 0.67 | TLR9 (0.33) | — | |
| SCHEMBL14853413 | 0.67 | KDM5B (0.32) | — |
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 |