⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16203293 | 0.84 | — | — | |
| SCHEMBL15133314 | 0.77 | — | — | |
| SCHEMBL18011115 | 0.77 | — | — | |
| SCHEMBL23404472 | 0.75 | — | — | |
| SCHEMBL18633958 | 0.75 | — | — | |
| SCHEMBL18709256 | 0.75 | — | — | |
| SCHEMBL21806635 | 0.73 | — | — | |
| SCHEMBL19344264 | 0.73 | — | — | |
| SCHEMBL13474016 | 0.73 | — | — | |
| SCHEMBL16926676 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3231793-A1 | DIHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF | JAPAN TOBACCO INC. (JP) | 2017-10-18 | — | — | EP | disclosed |