⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12564801 | 0.81 | ALDH1A1 (0.50) | — | |
| SCHEMBL4578719 | 0.79 | — | — | |
| SCHEMBL87711 | 0.77 | — | — | |
| SCHEMBL2281276 | 0.77 | — | — | |
| SCHEMBL523804 | 0.77 | — | — | |
| SCHEMBL1098287 | 0.77 | — | — | |
| SCHEMBL523957 | 0.77 | — | — | |
| SCHEMBL3954454 | 0.77 | — | — | |
| SCHEMBL523805 | 0.77 | — | — | |
| SCHEMBL524010 | 0.77 | — | — |
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-6156761-A | Substituted tetralone derivatives for enhancing cognition | MERCK SHARPE & DOHME LIMITED (GB) | 2000-12-05 | — | — | US | disclosed |