⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1278075 | 0.67 | — | — | |
| SCHEMBL12802250 | 0.66 | — | — | |
| SCHEMBL7380304 | 0.66 | BRD4 (0.39) | — | |
| SCHEMBL874304 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL909236 | 0.66 | — | — | |
| SCHEMBL25124370 | 0.66 | BRD4 (0.39) | — | |
| Hydrochloric Acid SCHEMBL11837161 | 0.64 | ALDH1A1 (0.37) | — | |
| Bromide SCHEMBL27801925 | 0.64 | ALDH1A1 (0.37) | — | |
| SCHEMBL981790 | 0.59 | — | — | |
| SCHEMBL33935 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005013909-A3 | NOVEL CATHEPSIN K INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2005-08-18 | — | — | WO | disclosed |
| WO-2005013909-A2 | NOVEL CATHEPSIN K INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-02-17 | — | — | WO | disclosed |
| WO-2005013909-A2 | NOVEL CATHEPSIN K INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-02-17 | — | — | WO | disclosed |