⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1789251 | 0.97 | — | — | |
| SCHEMBL5167298 | 0.97 | — | — | |
| Trimethylammonium SCHEMBL17512955 | 0.90 | ALDH1A1 (0.33) | — | |
| Trimethylammonium SCHEMBL8742135 | 0.90 | ALDH1A1 (0.33) | — | |
| SCHEMBL9186910 | 0.77 | PTGS1 (0.37) | — | |
| SCHEMBL9186898 | 0.77 | PTGS1 (0.37) | — | |
| SCHEMBL8527282 | 0.77 | — | — | |
| SCHEMBL22064824 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL534130 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL534132 | 0.76 | — | — |
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-0478193-A2 | Alkali-resistant core-shell polymers | ROHM AND HAAS COMPANY (US) | 1992-04-01 | — | — | EP | disclosed |