⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7558211 | 1.00 | — | — | |
| SCHEMBL13053878 | 0.91 | MEN1 (0.33) | — | |
| SCHEMBL7551838 | 0.91 | MEN1 (0.33) | — | |
| SCHEMBL7573104 | 0.90 | BACE1 (0.31) | — | |
| SCHEMBL13054329 | 0.90 | BACE1 (0.31) | — | |
| SCHEMBL2969821 | 0.90 | PGR (0.30) | — | |
| SCHEMBL7547821 | 0.90 | PGR (0.30) | — | |
| SCHEMBL2969818 | 0.90 | PGR (0.30) | — | |
| SCHEMBL7576257 | 0.90 | PGR (0.30) | — | |
| SCHEMBL7548838 | 0.88 | PGR (0.31) | — |
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-20100292203-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION | 2010-11-18 | — | — | 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 |