⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6659485 | 0.67 | GRIN2D (0.31) | — | |
| Hydrochloric Acid SCHEMBL3085388 | 0.66 | — | — | |
| SCHEMBL24784489 | 0.53 | — | — | |
| SCHEMBL12086643 | 0.52 | HTR2A (0.44) | — | |
| SCHEMBL28863180 | 0.52 | — | — | |
| SCHEMBL31054490 | 0.51 | — | — | |
| SCHEMBL6776296 | 0.51 | — | — | |
| SCHEMBL19529449 | 0.49 | — | — | |
| Hydrochloric Acid SCHEMBL15269764 | 0.49 | — | — | |
| SCHEMBL132037 | 0.49 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2260839-A2 | Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase inhibitors | Merz Pharma GmbH & Co. KGaA (DE) | 2010-12-15 | — | — | EP | disclosed |
| WO-2003040084-A1 | UNSATURATED 1-AMINO-ALKYLCYCLOHEXANE NMDA, 5HT3 AND NEURONAL NICOTINIC RECEPTOR ANTAGONISTS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2003-05-15 | — | — | WO | disclosed |