⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12249866 | 0.71 | — | — | |
| SCHEMBL1992010 | 0.66 | LMNA (0.30) | — | |
| SCHEMBL18680409 | 0.66 | ALDH1A1 (0.37) | — | |
| Ethane SCHEMBL16588819 | 0.65 | — | — | |
| SCHEMBL2115433 | 0.64 | — | — | |
| SCHEMBL12249888 | 0.61 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL109259 | 0.60 | GAA (0.40) | — | |
| SCHEMBL9400147 | 0.59 | NR4A2 (0.49) | — | |
| SCHEMBL28515374 | 0.59 | — | — | |
| SCHEMBL38658521 | 0.58 | ATAD2 (0.47) | — |
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-8026261-B2 | neurodegenerative diseases; to remove free iron or iron accumulation in neural tissues; iron chelators; improved chemical stability, penetration through blood brain barrier; reacting 3-hydroxy-4-pyridinone/3-hydroxy-4-pyranone derivatives; 1-cyclopropyl-2-difluoromethyl-5-hydroxy-1H-pyridin-4-one | APOTEX TECHNOLOGIES INC. (CA) | 2011-09-27 | — | — | US | disclosed |