⚠ 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 | |
|---|---|---|---|---|
| Selegiline SCHEMBL7722148 | 0.84 | MAOB (0.38) | — | |
| Selegiline SCHEMBL7722145 | 0.78 | MAOB (0.48) | — | |
| Selegiline SCHEMBL7722421 | 0.77 | MAOB (0.42) | — | |
| Selegiline SCHEMBL7722635 | 0.77 | MAOB (0.42) | — | |
| Selegiline SCHEMBL7729341 | 0.74 | MAOB (0.53) | — | |
| Selegiline SCHEMBL7727405 | 0.72 | MAOB (0.44) | — | |
| Selegiline SCHEMBL7729024 | 0.71 | MAOB (0.53) | — | |
| Selegiline SCHEMBL7729368 | 0.68 | MAOB (0.42) | — | |
| Selegiline SCHEMBL7727757 | 0.68 | MAOB (0.49) | — | |
| Selegiline SCHEMBL7729586 | 0.67 | MAOB (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-20100286124-A1 | PROP-2-YN-1-AMINE INHIBITORS OF MONOAMINE OXIDASE TYPE B | AUSPEX PHARMACEUTICALS, INC. (US) | 2010-11-11 | — | — | US | disclosed |