⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19223786 | 0.79 | — | — | |
| SCHEMBL24136958 | 0.78 | — | — | |
| SCHEMBL12320360 | 0.76 | — | — | |
| SCHEMBL23605039 | 0.73 | — | — | |
| SCHEMBL13879807 | 0.71 | — | — | |
| SCHEMBL13872696 | 0.71 | — | — | |
| SCHEMBL13670298 | 0.71 | — | — | |
| SCHEMBL8341087 | 0.71 | — | — | |
| SCHEMBL19882247 | 0.71 | — | — | |
| SCHEMBL14320075 | 0.70 | ACHE (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 |
|---|---|---|---|---|---|---|---|
| WO-2004085408-A1 | 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES | MITSUBISHI PHARMA CORPORATION (JP) | 2004-10-07 | — | — | WO | disclosed |