⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16795688 | 0.74 | — | — | |
| SCHEMBL501649 | 0.73 | — | — | |
| Ethylene SCHEMBL8519352 | 0.72 | CYP2D6 (0.41) | — | |
| SCHEMBL4047411 | 0.71 | CYP2D6 (0.45) | — | |
| SCHEMBL6894584 | 0.69 | — | — | |
| SCHEMBL3651893 | 0.69 | — | — | |
| SCHEMBL10758995 | 0.69 | — | — | |
| SCHEMBL8743227 | 0.68 | TSHR (0.39) | — | |
| SCHEMBL31613206 | 0.68 | CYP2D6 (0.43) | — | |
| SCHEMBL3497556 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015087094-A1 | NEW ARYLALKENYLPROPARGYLAMINE DERIVATIVES EXHIBITING NEUROPROTECTIVE ACTION FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | SEMMELWEIS EGYETEM (HU) | 2015-06-18 | — | — | WO | disclosed |