⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13045726 | 0.78 | — | — | |
| SCHEMBL24136958 | 0.78 | — | — | |
| SCHEMBL15889042 | 0.74 | — | — | |
| SCHEMBL24384851 | 0.74 | — | — | |
| SCHEMBL13863861 | 0.74 | — | — | |
| SCHEMBL20180621 | 0.74 | — | — | |
| SCHEMBL19393840 | 0.71 | — | — | |
| SCHEMBL8343071 | 0.71 | — | — | |
| SCHEMBL14541320 | 0.71 | — | — | |
| SCHEMBL3687934 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3636636-B1 | PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE | MITSUI CHEMICALS AGRO INC (JP) | 2022-07-06 | — | — | EP | disclosed |
| EP-3162798-A1 | 5-MEMBERED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2017-05-03 | — | — | EP | disclosed |
| EP-2050734-A1 | PENTADIENAMIDE DERIVATIVE | Kyowa Hakko Kirin Co., Ltd. (JP) | 2009-04-22 | — | — | EP | disclosed |