⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18844087 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL7588197 | 0.71 | — | — | |
| SCHEMBL5048569 | 0.70 | — | — | |
| Trimethylammonium SCHEMBL20742045 | 0.69 | LMNA (0.33) | — | |
| SCHEMBL29315795 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL21393353 | 0.68 | — | — | |
| SCHEMBL18179235 | 0.66 | — | — | |
| SCHEMBL132807 | 0.65 | — | — | |
| SCHEMBL5875824 | 0.64 | ALDH1A1 (0.39) | — | |
| SCHEMBL10808142 | 0.64 | — | — |
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-9586955-B2 | Compounds for treating spinal muscular atrophy | PTC THERAPEUTICS, INC. (US) | 2017-03-07 | — | — | US | disclosed |