⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13617559 | 0.77 | — | — | |
| SCHEMBL5682726 | 0.75 | — | — | |
| SCHEMBL20352213 | 0.72 | MEN1 (0.32) | — | |
| SCHEMBL24122604 | 0.72 | MEN1 (0.32) | — | |
| SCHEMBL5172782 | 0.70 | — | — | |
| SCHEMBL14907 | 0.69 | — | — | |
| SCHEMBL25184627 | 0.69 | ALDH1A1 (0.44) | — | |
| SCHEMBL9201660 | 0.69 | MEN1 (0.44) | — | |
| SCHEMBL1508381 | 0.67 | — | — | |
| SCHEMBL10065705 | 0.67 | MEN1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090274650-A1 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED | 2009-11-05 | — | — | US | disclosed |
| US-20090274650-A1 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED | 2009-11-05 | — | — | US | disclosed |