⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13433741 | 0.70 | — | — | |
| SCHEMBL17090696 | 0.62 | PNMT (0.31) | — | |
| SCHEMBL17302979 | 0.59 | — | — | |
| SCHEMBL20159940 | 0.57 | — | — | |
| SCHEMBL15711119 | 0.55 | — | — | |
| SCHEMBL10178424 | 0.53 | — | — | |
| SCHEMBL7618526 | 0.51 | — | — | |
| SCHEMBL21877706 | 0.51 | — | — | |
| SCHEMBL10152548 | 0.51 | — | — | |
| SCHEMBL1924971 | 0.51 | APEX1 (0.39) | — |
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-2017216685-A1 | PENTACYCLIC PYRIDONE COMPOUNDS AS ANTIVIRALS | NOVARTIS AG (CH) | 2017-12-21 | — | — | WO | disclosed |