⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28244148 | 0.77 | — | — | |
| SCHEMBL21596301 | 0.72 | — | — | |
| SCHEMBL8409149 | 0.65 | — | — | |
| SCHEMBL8409152 | 0.65 | — | — | |
| SCHEMBL22245780 | 0.64 | — | — | |
| SCHEMBL13901309 | 0.63 | — | — | |
| SCHEMBL30949375 | 0.61 | ACE2 (0.33) | — | |
| SCHEMBL14208363 | 0.61 | — | — | |
| SCHEMBL17581091 | 0.59 | — | — | |
| SCHEMBL3939110 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109852644-A | A method of preparing Bu Waxitan intermediate | 上海弈柯莱生物医药科技有限公司 | 2019-06-07 | — | — | CN | disclosed |