⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL927448 | 0.81 | NPC1 (0.32) | — | |
| SCHEMBL7911360 | 0.80 | NPC1 (0.32) | — | |
| SCHEMBL7912936 | 0.73 | ADRA2A (0.45) | — | |
| SCHEMBL7916798 | 0.73 | ADRA2A (0.44) | — | |
| SCHEMBL7903016 | 0.73 | ADRA2A (0.44) | — | |
| SCHEMBL7916777 | 0.72 | ALDH1A1 (0.37) | — | |
| Dimethylamine SCHEMBL7911323 | 0.71 | ADRA2A (0.42) | — | |
| SCHEMBL7910325 | 0.71 | GRM5 (0.36) | — | |
| SCHEMBL7916778 | 0.70 | SLC9A1 (0.33) | — | |
| SCHEMBL7910355 | 0.69 | NPC1 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6258829-B1 | ANTIARRTHMIA AGENTS AND CARDIOVASCULAR DISORDERS | TOA EIYO LTD. (JP) | 2001-07-10 | — | — | US | disclosed |
| EP-0972767-A1 | CYCLOALKA[b]PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND DRUGS CONTAINING THE SAME | TOA EIYO LTD. (JP) | 2000-01-19 | — | — | EP | disclosed |