⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4622186 | 0.80 | CYP3A4 (0.32) | — | |
| SCHEMBL8763240 | 0.72 | — | — | |
| SCHEMBL2518844 | 0.67 | CYP3A4 (0.32) | — | |
| SCHEMBL11434393 | 0.66 | GABRA1 (0.39) | — | |
| SCHEMBL27822902 | 0.66 | TRPA1 (0.35) | — | |
| SCHEMBL1360849 | 0.64 | TRPA1 (0.39) | — | |
| SCHEMBL10800866 | 0.64 | AR (0.33) | — | |
| SCHEMBL583922 | 0.64 | TRPA1 (0.33) | — | |
| SCHEMBL2652817 | 0.64 | TDP2 (0.36) | — | |
| SCHEMBL11514953 | 0.64 | ALDH1A1 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1404743-B1 | FAST POLYMERIZABLE/CURABLE EPISULFIDE BASED COMPOSITION, POLYMERIZATION/CURING PROCESS AND OPTICAL ARTICLES RESULTING THEREFROM | ESSILOR INT (FR) | 2009-11-25 | — | — | EP | claimed |