⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7450895 | 1.00 | — | — | |
| SCHEMBL16597410 | 0.86 | — | — | |
| SCHEMBL14136756 | 0.86 | — | — | |
| SCHEMBL7455530 | 0.67 | — | — | |
| SCHEMBL7451802 | 0.67 | — | — | |
| SCHEMBL4492294 | 0.63 | — | — | |
| SCHEMBL546913 | 0.63 | — | — | |
| SCHEMBL18474377 | 0.63 | — | — | |
| SCHEMBL6789695 | 0.62 | KDM4E (0.37) | — | |
| Hydrochloric Acid SCHEMBL5418246 | 0.61 | NOS2 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20020165222-A1 | Protease inhibitors | SMITHKLINE BEECHAM CORPORATION | 2002-11-07 | — | — | US | claimed |
| EP-1153022-A4 | PROTHEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2002-03-27 | — | — | EP | claimed |
| EP-1153022-A1 | PROTHEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-11-14 | — | — | EP | claimed |
| WO-2000049011-A1 | PROTHEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-08-24 | — | — | WO | claimed |
| 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 |