⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8959765 | 0.82 | — | — | |
| Carbon Monoxide SCHEMBL2998671 | 0.69 | — | — | |
| SCHEMBL9149166 | 0.68 | — | — | |
| Alcohol SCHEMBL28128224 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL10357730 | 0.66 | TP53 (0.41) | — | |
| SCHEMBL10587125 | 0.66 | ALDH1A1 (0.41) | — | |
| Potassium Ion SCHEMBL134847 | 0.66 | ALDH1A1 (0.47) | — | |
| Ethylamine SCHEMBL2230804 | 0.65 | TP53 (0.39) | — | |
| SCHEMBL3894443 | 0.64 | — | — | |
| Potassium Ion SCHEMBL28138096 | 0.63 | ALDH1A1 (0.44) | — |
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-1153905-B1 | NOVEL CRYSTALLINE ION-ASSOCIATION SUBSTANCE, PROCESS FOR PRODUCING THE SAME, AND POLYMERIZATION INITIATOR | AUTEX INC (JP) | 2004-08-04 | — | — | EP | disclosed |