⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7053264 | 0.86 | — | — | |
| SCHEMBL13304413 | 0.70 | LMNA (0.43) | — | |
| SCHEMBL14644667 | 0.70 | DAO (0.53) | — | |
| SCHEMBL14644670 | 0.66 | ALDH1A1 (0.47) | — | |
| SCHEMBL1100359 | 0.66 | DAO (0.61) | — | |
| SCHEMBL29490188 | 0.66 | NOS1 (1.00) | — | |
| SCHEMBL243203 | 0.66 | NOS1 (1.00) | — | |
| SCHEMBL31389041 | 0.66 | PSMB8 (0.72) | — | |
| SCHEMBL18936106 | 0.64 | ALDH1A1 (0.52) | — | |
| SCHEMBL6318703 | 0.64 | — | — |
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-2308854-A1 | 2,3,6-trisubstituted-4-pyrimidone derivatives | Sanofi-Aventis (FR) | 2011-04-13 | — | — | EP | disclosed |
| EP-2305651-A1 | 2,3,6-trisubstituted-4-pyrimidone derivatives | Mitsubishi Tanabe Pharma Corporation (JP) | 2011-04-06 | — | — | EP | disclosed |