⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5702297 | 0.79 | — | — | |
| SCHEMBL130515 | 0.75 | — | — | |
| SCHEMBL29441288 | 0.75 | — | — | |
| SCHEMBL652313 | 0.74 | — | — | |
| SCHEMBL3163208 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL20593640 | 0.72 | NFE2L2 (0.60) | — | |
| Bromide SCHEMBL28031489 | 0.72 | NFE2L2 (0.60) | — | |
| SCHEMBL13830012 | 0.72 | NISCH (0.52) | — | |
| SCHEMBL91411 | 0.72 | — | — | |
| SCHEMBL29901001 | 0.72 | NISCH (0.52) | — |
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-8487108-B2 | Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2013-07-16 | — | — | US | disclosed |
| EP-1966139-B1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS INC (US) | 2011-12-21 | — | — | EP | disclosed |
| US-20100048636-A1 | Aspartic Protease Inhibitors | VITAE PHARMACEUTICALS, INC. | 2010-02-25 | — | — | US | disclosed |