⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4319020 | 0.82 | CTSK (0.34) | — | |
| SCHEMBL5099688 | 0.81 | ACHE (0.34) | — | |
| SCHEMBL6391925 | 0.80 | — | — | |
| SCHEMBL4317287 | 0.77 | — | — | |
| SCHEMBL6204673 | 0.77 | BTK (0.30) | — | |
| SCHEMBL6204157 | 0.77 | BTK (0.30) | — | |
| SCHEMBL5098964 | 0.77 | BIRC2 (0.37) | — | |
| SCHEMBL4310039 | 0.77 | CTSK (0.36) | — | |
| SCHEMBL5098998 | 0.76 | BCHE (0.41) | — | |
| SCHEMBL4316698 | 0.76 | CTSL (0.33) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060194787-A1 | Protease inhibitors | SMITHKLINE BEECHAM CORPORATION | 2006-08-31 | — | — | US | claimed |
| EP-1307203-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2005-08-17 | — | — | EP | claimed |
| US-20040044201-A1 | Protease inhibitors | GLAXOSMITHKLINE LLC | 2004-03-04 | — | — | US | claimed |
| EP-1307203-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-05-07 | — | — | EP | claimed |
| WO-2001070232-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-09-27 | — | — | WO | claimed |
| US-7563784-B2 | Protease inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 2009-07-21 | — | — | US | disclosed |
| US-20060194787-A1 | Protease inhibitors | SMITHKLINE BEECHAM CORPORATION | 2006-08-31 | — | — | US | disclosed |
| US-7071184-B2 | Protease inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 2006-07-04 | — | — | US | disclosed |
| US-20040044201-A1 | Protease inhibitors | GLAXOSMITHKLINE LLC | 2004-03-04 | — | — | US | disclosed |