⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3320282 | 0.98 | ALDH1A1 (0.30) | — | |
| Hydrogen Sulfide SCHEMBL29108047 | 0.80 | APEX1 (0.33) | — | |
| SCHEMBL23413056 | 0.79 | CD81 (0.33) | — | |
| SCHEMBL3316396 | 0.79 | CD81 (0.33) | — | |
| Hydrogen Sulfide SCHEMBL465804 | 0.79 | EP300 (0.33) | — | |
| SCHEMBL1845476 | 0.78 | APEX1 (0.33) | — | |
| SCHEMBL1845478 | 0.78 | APEX1 (0.33) | — | |
| SCHEMBL31389038 | 0.78 | — | — | |
| Hydrogen Sulfide SCHEMBL28929437 | 0.78 | EP300 (0.36) | — | |
| SCHEMBL291057 | 0.77 | EP300 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109384982-B | Modified conjugated diene polymer composition and tire | 旭化成株式会社 | 2020-11-17 | — | — | CN | disclosed |