⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1862358 | 0.87 | CTSK (0.32) | — | |
| SCHEMBL1862356 | 0.87 | CTSK (0.32) | — | |
| SCHEMBL4970284 | 0.83 | — | — | |
| SCHEMBL1859863 | 0.80 | — | — | |
| SCHEMBL1859861 | 0.80 | — | — | |
| SCHEMBL3607406 | 0.74 | — | — | |
| SCHEMBL3607403 | 0.74 | — | — | |
| SCHEMBL3616657 | 0.74 | — | — | |
| SCHEMBL4973979 | 0.74 | — | — | |
| SCHEMBL3616653 | 0.74 | — | — |
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 |