⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14741991 | 0.76 | SLC22A6 (0.42) | — | |
| SCHEMBL645196 | 0.76 | CASP1 (0.45) | — | |
| SCHEMBL13201589 | 0.75 | CASP1 (0.35) | — | |
| Bicarbonate SCHEMBL27845763 | 0.73 | PDE4A (0.33) | — | |
| SCHEMBL4216284 | 0.71 | — | — | |
| SCHEMBL29064042 | 0.70 | CASP1 (0.32) | — | |
| SCHEMBL29064040 | 0.70 | CASP1 (0.32) | — | |
| SCHEMBL9007818 | 0.68 | CA1 (0.34) | — | |
| SCHEMBL7759037 | 0.66 | CASP1 (0.30) | — | |
| SCHEMBL7131877 | 0.65 | SLC22A6 (0.34) | — |
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-7772366-B2 | Inhibitors of interleukin-1β converting enzyme | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-08-10 | — | — | US | disclosed |
| US-20080070953-A1 | Inhibitors of interleukin-1 beta converting enzyme | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-03-20 | — | — | US | disclosed |