⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2094376 | 0.80 | — | — | |
| SCHEMBL2869462 | 0.75 | — | — | |
| SCHEMBL10616300 | 0.75 | — | — | |
| SCHEMBL2933578 | 0.75 | — | — | |
| SCHEMBL8677790 | 0.75 | — | — | |
| SCHEMBL4405692 | 0.73 | — | — | |
| SCHEMBL10546299 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL11160590 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL13831055 | 0.71 | — | — | |
| SCHEMBL9608814 | 0.71 | — | — |
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 |