⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30574613 | 0.98 | — | — | |
| SCHEMBL10422881 | 0.96 | — | — | |
| SCHEMBL31603291 | 0.92 | — | — | |
| SCHEMBL22484728 | 0.81 | — | — | |
| SCHEMBL17100023 | 0.78 | — | — | |
| SCHEMBL11998926 | 0.77 | — | — | |
| SCHEMBL22262836 | 0.77 | — | — | |
| SCHEMBL6245373 | 0.76 | — | — | |
| SCHEMBL7738624 | 0.74 | — | — | |
| SCHEMBL8447476 | 0.74 | — | — |
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-5733882-A | Retroviral protease inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 1998-03-31 | — | — | US | disclosed |
| EP-0602069-A4 | RETROVIRAL PROTEASE INHIBITORS. | SMITHKLINE BEECHAM CORP (US) | 1995-05-03 | — | — | EP | disclosed |
| EP-0602069-A1 | RETROVIRAL PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-06-22 | — | — | EP | disclosed |
| WO-1993002057-A1 | RETROVIRAL PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-02-04 | — | — | WO | disclosed |