⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28657484 | 0.63 | CES1 (0.41) | — | |
| SCHEMBL11084686 | 0.61 | S100A4 (0.34) | — | |
| SCHEMBL8303228 | 0.60 | — | — | |
| SCHEMBL6462068 | 0.57 | — | — | |
| SCHEMBL3690727 | 0.57 | — | — | |
| SCHEMBL18873472 | 0.56 | — | — | |
| SCHEMBL8409565 | 0.55 | PDE4B (0.37) | — | |
| SCHEMBL2859414 | 0.54 | SLC6A2 (0.35) | — | |
| SCHEMBL10514604 | 0.53 | — | — | |
| SCHEMBL11169445 | 0.53 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0983228-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2002-08-07 | — | — | EP | claimed |
| US-20020065230-A1 | Protease inhibitors | SMITHKLINE BEECHAM CORPORATION | 2002-05-30 | — | — | US | claimed |
| EP-0983228-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-03-08 | — | — | EP | claimed |
| WO-1998050342-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-11-12 | — | — | WO | claimed |
| EP-0983228-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2002-08-07 | — | — | EP | disclosed |
| US-20020065230-A1 | Protease inhibitors | SMITHKLINE BEECHAM CORPORATION | 2002-05-30 | — | — | US | disclosed |
| EP-0983228-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-03-08 | — | — | EP | disclosed |
| WO-1998050342-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-11-12 | — | — | WO | disclosed |