⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7248370 | 1.00 | — | — | |
| SCHEMBL4904211 | 1.00 | — | — | |
| SCHEMBL14113257 | 0.94 | — | — | |
| SCHEMBL6262004 | 0.93 | MLNR (0.49) | — | |
| SCHEMBL14113247 | 0.92 | MLNR (0.53) | — | |
| SCHEMBL6102665 | 0.87 | SPPL2A (0.54) | — | |
| SCHEMBL30585310 | 0.87 | SPPL2A (0.54) | — | |
| SCHEMBL7954523 | 0.87 | SPPL2A (0.54) | — | |
| SCHEMBL4913960 | 0.86 | SPPL2A (0.53) | — | |
| SCHEMBL14113250 | 0.86 | SPPL2A (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080176842-A1 | BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE LLC (US) | 2008-07-24 | — | — | US | disclosed |
| US-7297793-B2 | Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors | G.D. SEARLE, LLC (US) | 2007-11-20 | — | — | US | disclosed |
| US-7297793-B2 | Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors | G.D. SEARLE, LLC (US) | 2007-11-20 | — | — | US | disclosed |