⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1923787 | 0.77 | — | — | |
| SCHEMBL16795690 | 0.74 | — | — | |
| SCHEMBL3161157 | 0.72 | — | — | |
| SCHEMBL5051671 | 0.72 | ALOX15 (0.41) | — | |
| SCHEMBL29633489 | 0.70 | — | — | |
| SCHEMBL4526392 | 0.70 | — | — | |
| SCHEMBL115120 | 0.69 | — | — | |
| SCHEMBL3122875 | 0.69 | CYP2D6 (0.41) | — | |
| SCHEMBL23069587 | 0.69 | — | — | |
| SCHEMBL8743144 | 0.69 | CYP2D6 (0.37) | — |
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 |