⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1860635 | 0.90 | CTSS (0.37) | — | |
| SCHEMBL1860632 | 0.90 | CTSS (0.37) | — | |
| SCHEMBL1858119 | 0.84 | CTSS (0.40) | — | |
| SCHEMBL1866019 | 0.84 | CTSS (0.40) | — | |
| SCHEMBL4973214 | 0.84 | CTSS (0.40) | — | |
| SCHEMBL4973219 | 0.84 | CTSS (0.40) | — | |
| SCHEMBL1859126 | 0.84 | — | — | |
| SCHEMBL1859123 | 0.84 | — | — | |
| SCHEMBL1867036 | 0.80 | NAAA (0.30) | — | |
| SCHEMBL3607406 | 0.79 | — | — |
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-1807078-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2007-07-18 | — | — | EP | disclosed |
| WO-2006042150-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2006-04-20 | — | — | WO | disclosed |