⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25490213 | 0.79 | KIF11 (0.35) | — | |
| SCHEMBL19252595 | 0.73 | CNR2 (0.33) | — | |
| SCHEMBL19646362 | 0.73 | HDAC8 (0.32) | — | |
| SCHEMBL18826992 | 0.72 | — | — | |
| SCHEMBL21482041 | 0.71 | — | — | |
| SCHEMBL19738679 | 0.70 | CNR2 (0.40) | — | |
| SCHEMBL24862786 | 0.70 | CNR1 (0.31) | — | |
| SCHEMBL22023780 | 0.69 | CNR2 (0.45) | — | |
| SCHEMBL23634131 | 0.69 | HDAC8 (0.34) | — | |
| SCHEMBL22328432 | 0.69 | NPC1 (0.36) | — |
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-10420753-B2 | Combination therapies for treatment of spinal muscular atrophy | INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) | 2019-09-24 | — | — | US | disclosed |