⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12456989 | 0.85 | NLRP3 (0.39) | — | |
| SCHEMBL7112106 | 0.84 | ALDH1A1 (0.34) | — | |
| SCHEMBL420201 | 0.77 | — | — | |
| SCHEMBL8459586 | 0.74 | KDM4E (0.40) | — | |
| SCHEMBL679862 | 0.73 | NLRP3 (0.39) | — | |
| SCHEMBL9945290 | 0.71 | — | — | |
| SCHEMBL10771596 | 0.69 | — | — | |
| SCHEMBL597046 | 0.67 | NLRP3 (0.50) | — | |
| SCHEMBL31287500 | 0.67 | — | — | |
| SCHEMBL422953 | 0.67 | APP (0.42) | — |
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-20030220524-A1 | Sulfur containing compounds | LANGLER RICHARD FRANCIS (CA) | 2003-11-27 | — | — | US | disclosed |
| EP-1259482-A2 | SULFUR CONTAINING COMPOUNDS | University Health Network (CA) | 2002-11-27 | — | — | EP | disclosed |
| WO-2001062668-A2 | SULFUR CONTAINING COMPOUNDS | UNIVERSITY HEALTH NETWORK (CA) | 2001-08-30 | — | — | WO | disclosed |