⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4079760 | 1.00 | — | — | |
| SCHEMBL4970463 | 0.84 | NPY5R (0.38) | — | |
| SCHEMBL15049873 | 0.81 | — | — | |
| SCHEMBL4752804 | 0.77 | MGLL (0.33) | — | |
| SCHEMBL4973791 | 0.77 | MGLL (0.33) | — | |
| SCHEMBL4973784 | 0.77 | MGLL (0.33) | — | |
| SCHEMBL3970801 | 0.77 | MGLL (0.33) | — | |
| SCHEMBL1568379 | 0.76 | PSEN1 (0.31) | — | |
| SCHEMBL4975225 | 0.76 | PSEN1 (0.31) | — | |
| SCHEMBL1567518 | 0.76 | NPY5R (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1966139-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |