⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25162051 | 0.76 | — | — | |
| SCHEMBL19087219 | 0.74 | — | — | |
| SCHEMBL22756785 | 0.74 | — | — | |
| SCHEMBL8010276 | 0.72 | — | — | |
| SCHEMBL13368916 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL19087212 | 0.72 | — | — | |
| SCHEMBL19114037 | 0.70 | — | — | |
| SCHEMBL961393 | 0.69 | — | — | |
| SCHEMBL25388030 | 0.69 | — | — | |
| SCHEMBL18433299 | 0.69 | — | — |
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-2020255425-A1 | ANTI-HBV AGENT | 国立研究開発法人理化学研究所 | 2020-12-24 | — | — | WO | disclosed |