⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10326155 | 0.77 | — | — | |
| SCHEMBL903274 | 0.77 | — | — | |
| SCHEMBL23775864 | 0.69 | — | — | |
| SCHEMBL21508644 | 0.69 | — | — | |
| SCHEMBL18999231 | 0.69 | — | — | |
| SCHEMBL12961284 | 0.69 | — | — | |
| SCHEMBL20057566 | 0.67 | — | — | |
| SCHEMBL12237550 | 0.65 | — | — | |
| SCHEMBL22314050 | 0.63 | — | — | |
| SCHEMBL19035433 | 0.63 | — | — |
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 |
| US-20180093981-A1 | 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors | GENZYME CORPORATION | 2018-04-05 | — | — | US | 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 |