⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6088949 | 1.00 | — | — | |
| SCHEMBL8523235 | 0.68 | — | — | |
| SCHEMBL16570003 | 0.62 | — | — | |
| SCHEMBL23330241 | 0.55 | — | — | |
| SCHEMBL2994409 | 0.54 | — | — | |
| SCHEMBL2360883 | 0.53 | — | — | |
| SCHEMBL18663893 | 0.50 | — | — | |
| SCHEMBL3265320 | 0.50 | — | — | |
| SCHEMBL13507365 | 0.49 | GSK3A (0.39) | — | |
| SCHEMBL23330239 | 0.48 | — | — |
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-7138395-B2 | Interleukin-1β converting enzyme inhibitors | THE PROCTER & GAMBLE COMPANY (US) | 2006-11-21 | — | — | US | disclosed |
| US-20040014753-A1 | Novel interleukin-1beta converting enzyme inhibitors | THE PROCTER & GAMBLE COMPANY | 2004-01-22 | — | — | US | disclosed |