⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6054530 | 0.78 | — | — | |
| SCHEMBL5390678 | 0.75 | — | — | |
| Fluoromethane SCHEMBL28238810 | 0.75 | — | — | |
| Fluoride SCHEMBL28421288 | 0.75 | — | — | |
| SCHEMBL9576884 | 0.75 | — | — | |
| Lactic Acid SCHEMBL10586827 | 0.75 | — | — | |
| SCHEMBL12002531 | 0.73 | — | — | |
| SCHEMBL11911332 | 0.73 | — | — | |
| SCHEMBL7812200 | 0.72 | — | — | |
| SCHEMBL10877285 | 0.72 | — | — |
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 |