⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13179068 | 0.75 | — | — | |
| SCHEMBL6780860 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL4098664 | 0.73 | — | — | |
| SCHEMBL5585369 | 0.71 | — | — | |
| SCHEMBL6758324 | 0.71 | — | — | |
| SCHEMBL6758073 | 0.71 | — | — | |
| SCHEMBL1935108 | 0.70 | ESR1 (0.42) | — | |
| SCHEMBL13846391 | 0.68 | — | — | |
| SCHEMBL19909872 | 0.68 | — | — | |
| SCHEMBL10115680 | 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 |
|---|---|---|---|---|---|---|---|
| US-20090124659-A1 | Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase and inhibitors | MERZ PHARMA GMBH & CO. KGAA (DE) | 2009-05-14 | — | — | US | disclosed |