⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13062357 | 1.00 | — | — | |
| SCHEMBL22175594 | 0.75 | — | — | |
| SCHEMBL17623354 | 0.75 | — | — | |
| SCHEMBL2743212 | 0.74 | — | — | |
| SCHEMBL8226542 | 0.73 | — | — | |
| SCHEMBL12175590 | 0.73 | — | — | |
| SCHEMBL8274133 | 0.71 | — | — | |
| SCHEMBL17993925 | 0.71 | — | — | |
| SCHEMBL10057912 | 0.71 | — | — | |
| SCHEMBL851233 | 0.68 | — | — |
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-3342765-B1 | CATHEPSIN K INHIBITOR AND APPLICATION THEREOF | SUNSHINE LAKE PHARMA CO LTD (CN) | 2021-09-15 | — | — | EP | disclosed |