⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4685173 | 0.79 | — | — | |
| SCHEMBL4545266 | 0.75 | KEAP1 (0.48) | — | |
| SCHEMBL13161499 | 0.75 | HSD17B10 (0.41) | — | |
| SCHEMBL2616818 | 0.73 | — | — | |
| SCHEMBL43908 | 0.73 | — | — | |
| SCHEMBL1865258 | 0.73 | — | — | |
| SCHEMBL13029372 | 0.73 | HSD17B10 (0.40) | — | |
| SCHEMBL19172568 | 0.73 | KEAP1 (0.47) | — | |
| SCHEMBL13285906 | 0.72 | KEAP1 (0.52) | — | |
| SCHEMBL6289555 | 0.72 | — | — |
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 3 patents. 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 |
| EP-3342765-A1 | CATHEPSIN K INHIBITOR AND APPLICATION THEREOF | Sunshine Lake Pharma Co., Ltd. (CN) | 2018-07-04 | — | — | EP | disclosed |
| WO-2017036357-A1 | CATHEPSIN K INHIBITOR AND APPLICATION THEREOF | 广东东阳光药业有限公司 | 2017-03-09 | — | — | WO | disclosed |