⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3076288 | 0.98 | — | — | |
| SCHEMBL6663928 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL3086362 | 0.80 | — | — | |
| SCHEMBL11468635 | 0.76 | — | — | |
| SCHEMBL3077930 | 0.76 | — | — | |
| SCHEMBL3963159 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL1257115 | 0.73 | — | — | |
| SCHEMBL6659494 | 0.65 | — | — | |
| SCHEMBL6664205 | 0.65 | — | — | |
| SCHEMBL8351750 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1442008-A1 | UNSATURATED 1-AMINO-ALKYLCYCLOHEXANE NMDA, 5HT3 AND NEURONAL NICOTINIC RECEPTOR ANTAGONISTS | Merz Pharma GmbH & Co. KGaA (DE) | 2004-08-04 | — | — | EP | claimed |
| WO-2003040084-A1 | UNSATURATED 1-AMINO-ALKYLCYCLOHEXANE NMDA, 5HT3 AND NEURONAL NICOTINIC RECEPTOR ANTAGONISTS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2003-05-15 | — | — | WO | claimed |
| US-6828462-B2 | Amines such as 3,3,5,5-Tetramethyl-1-vinylcyclohexanamine hydrochloride, used as N-methyl-D-aspartate (NMDA), serotonin and nicotinic acetylcholine receptor antagonists | MERZ PHARMA GMBH & CO. KGAA (DE) | 2004-12-07 | — | — | US | disclosed |