⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23813395 | 0.87 | — | — | |
| SCHEMBL16121221 | 0.81 | TP53 (0.32) | — | |
| SCHEMBL4959977 | 0.77 | — | — | |
| SCHEMBL2888439 | 0.75 | — | — | |
| SCHEMBL11218733 | 0.74 | KDM4E (0.33) | — | |
| SCHEMBL11922804 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL15114136 | 0.73 | — | — | |
| SCHEMBL4787287 | 0.73 | — | — | |
| SCHEMBL4658158 | 0.73 | — | — | |
| SCHEMBL12890741 | 0.71 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7405209-B2 | e.g. 2-Benzyloxycarbonylamino-4-methyl-pentanoyl)-3-oxo-azepan-4-ylcarbamoyl}carbamic acid benzyl ester; protease inhibitors like cathepsin K; osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation | SMITHKLINE BEECHAM CORPORATION (US) | 2008-07-29 | — | — | US | disclosed |
| US-20050256104-A1 | substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation | SMITHKLINE BEECHAM CORPORATION | 2005-11-17 | — | — | US | disclosed |
| EP-1307204-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2004-06-02 | — | — | EP | disclosed |
| EP-1384713-A1 | 4-amino-azepan-3-one derivatives as protease inhibitors | SmithKline Beecham Corporation (US) | 2004-01-28 | — | — | EP | disclosed |
| US-20040002487-A1 | Protease inhibitors | MARQUIS ROBERT WELLS (US) | 2004-01-01 | — | — | US | disclosed |
| US-20030225061-A1 | Protease inhibitors | MARQUIS ROBERT WELLS (US) | 2003-12-04 | — | — | US | disclosed |
| US-20030144175-A1 | Protease inhibitors | SMITHKLINE BEECHAM CORPORATION | 2003-07-31 | — | — | US | disclosed |
| EP-1307204-A1 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2003-05-07 | — | — | EP | disclosed |
| US-20020147188-A1 | Protease inhibitors | SMITHKLINE BEECHAM CORPORATION | 2002-10-10 | — | — | US | disclosed |
| EP-1158986-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001095911-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-12-20 | — | — | WO | disclosed |
| EP-1158986-A1 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000038687-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-07-06 | — | — | WO | disclosed |