⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL339130 | 0.78 | — | — | |
| SCHEMBL2329356 | 0.78 | — | — | |
| SCHEMBL91512 | 0.78 | — | — | |
| SCHEMBL12156 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL28612638 | 0.76 | RAPGEF4 (0.48) | — | |
| SCHEMBL458376 | 0.72 | — | — | |
| SCHEMBL29968604 | 0.72 | — | — | |
| SCHEMBL19260352 | 0.71 | RAPGEF4 (0.44) | — | |
| Boric Acid SCHEMBL27898712 | 0.69 | ALDH1A1 (0.45) | — | |
| Boric Acid SCHEMBL28194646 | 0.69 | CA12 (0.43) | — |
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 |