⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7547373 | 0.91 | — | — | |
| SCHEMBL14106228 | 0.91 | KDM2B (0.31) | — | |
| SCHEMBL13054551 | 0.91 | — | — | |
| SCHEMBL13054262 | 0.88 | BACE1 (0.33) | — | |
| SCHEMBL7570598 | 0.88 | BACE1 (0.33) | — | |
| SCHEMBL7547989 | 0.85 | MAPKAPK2 (0.33) | — | |
| SCHEMBL13055346 | 0.85 | MAPKAPK2 (0.33) | — | |
| SCHEMBL4559949 | 0.85 | BACE1 (0.34) | — | |
| SCHEMBL13054560 | 0.83 | F11 (0.34) | — | |
| SCHEMBL7560396 | 0.83 | F11 (0.34) | — |
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 2 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 |