⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7526952 | 0.93 | ALDH1A1 (0.33) | — | |
| SCHEMBL7533557 | 0.90 | GAA (0.37) | — | |
| SCHEMBL7531638 | 0.85 | BIRC2 (0.35) | — | |
| SCHEMBL7529403 | 0.83 | NLRP3 (0.32) | — | |
| SCHEMBL7527903 | 0.83 | PTPRC (0.31) | — | |
| SCHEMBL7535461 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL7533989 | 0.80 | BIRC2 (0.32) | — | |
| SCHEMBL15412894 | 0.77 | BIRC2 (0.33) | — | |
| SCHEMBL9475191 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL9475314 | 0.74 | PLA2G2C (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002016405-A1 | S-NITROSOTHIOLS AND THEIR USE AS MEDICAMENTS FOR CARDIOVASCULAR DISEASES | KING'S COLLEGE LONDON (GB) | 2002-02-28 | — | — | WO | claimed |
| WO-2002016405-A1 | S-NITROSOTHIOLS AND THEIR USE AS MEDICAMENTS FOR CARDIOVASCULAR DISEASES | KING'S COLLEGE LONDON (GB) | 2002-02-28 | — | — | WO | disclosed |