⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22027687 | 0.72 | — | — | |
| SCHEMBL1117822 | 0.65 | — | — | |
| Water SCHEMBL8221742 | 0.64 | — | — | |
| SCHEMBL23848163 | 0.60 | — | — | |
| Water SCHEMBL8221745 | 0.58 | — | — | |
| SCHEMBL8685790 | 0.57 | — | — | |
| SCHEMBL4073685 | 0.55 | — | — | |
| Water SCHEMBL8221741 | 0.53 | — | — | |
| Water SCHEMBL27524007 | 0.53 | — | — | |
| Hydrogen Sulfide SCHEMBL27522910 | 0.53 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5874424-A | Inhibitors of interleukin-1β converting enzyme | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1999-02-23 | — | — | US | disclosed |
| EP-0869967-A2 | INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME | Vertex Pharmaceuticals Incorporated (US) | 1998-10-14 | — | — | EP | disclosed |
| WO-1997022619-A2 | INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1997-06-26 | — | — | WO | disclosed |