⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7453880 | 1.00 | — | — | |
| SCHEMBL7448746 | 0.81 | CTSK (0.32) | — | |
| SCHEMBL7453472 | 0.81 | CTSK (0.32) | — | |
| SCHEMBL7451819 | 0.79 | TAS1R3 (0.32) | — | |
| SCHEMBL7519612 | 0.75 | ARG1 (0.36) | — | |
| SCHEMBL7526170 | 0.75 | ARG1 (0.36) | — | |
| SCHEMBL7453888 | 0.74 | — | — | |
| SCHEMBL17152289 | 0.68 | OPRK1 (0.34) | — | |
| SCHEMBL5099310 | 0.68 | KDM4E (0.35) | — | |
| SCHEMBL6273909 | 0.67 | TAS1R3 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020165222-A1 | Protease inhibitors | SMITHKLINE BEECHAM CORPORATION | 2002-11-07 | — | — | US | disclosed |
| EP-1153022-A4 | PROTHEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2002-03-27 | — | — | EP | disclosed |
| EP-1153022-A1 | PROTHEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-11-14 | — | — | EP | disclosed |
| WO-2000049011-A1 | PROTHEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-08-24 | — | — | WO | disclosed |