⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11626922 | 0.72 | TAS2R38 (0.44) | — | |
| SCHEMBL80483 | 0.69 | — | — | |
| Hydrogen Sulfide SCHEMBL8943099 | 0.67 | — | — | |
| SCHEMBL11245909 | 0.67 | — | — | |
| SCHEMBL8943103 | 0.67 | — | — | |
| SCHEMBL37237 | 0.67 | — | — | |
| SCHEMBL12725532 | 0.65 | — | — | |
| Water SCHEMBL14931409 | 0.65 | — | — | |
| SCHEMBL9807362 | 0.63 | TAS2R38 (0.59) | — | |
| SCHEMBL13158756 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4119588-A | Reversion resistant rubber compositions with thio carbamyl sulfenamides | THE B. F. GOODRICH COMPANY (US) | 1978-10-10 | — | — | US | disclosed |