⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13081278 | 0.96 | OPRM1 (0.30) | — | |
| SCHEMBL12191309 | 0.96 | OPRM1 (0.30) | — | |
| SCHEMBL13055315 | 0.89 | — | — | |
| SCHEMBL7562419 | 0.89 | — | — | |
| SCHEMBL12191318 | 0.86 | — | — | |
| SCHEMBL13558906 | 0.85 | BACE1 (0.37) | — | |
| SCHEMBL13054742 | 0.85 | OPRM1 (0.30) | — | |
| SCHEMBL7564126 | 0.85 | OPRM1 (0.30) | — | |
| SCHEMBL7569186 | 0.85 | OPRM1 (0.30) | — | |
| SCHEMBL13054251 | 0.85 | OPRM1 (0.30) | — |
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-8183252-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-22 | — | — | US | disclosed |
| US-20100292203-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION | 2010-11-18 | — | — | US | disclosed |
| WO-2008103351-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2008-08-28 | — | — | WO | disclosed |