⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5512221 | 1.00 | — | — | |
| SCHEMBL28174908 | 0.83 | SLC6A4 (0.31) | — | |
| SCHEMBL26356670 | 0.73 | — | — | |
| SCHEMBL195624 | 0.73 | — | — | |
| SCHEMBL3712585 | 0.73 | — | — | |
| SCHEMBL15365620 | 0.72 | — | — | |
| SCHEMBL284623 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL28019912 | 0.71 | — | — | |
| SCHEMBL28199247 | 0.71 | — | — | |
| SCHEMBL3700943 | 0.70 | — | — |
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-1838297-A1 | 1-AMINOCYCLOHEXANE-DERIVATIVES FOR THE TREATMENT OF MULTIPLE SCLEROSIS EMOTIONAL LABILITY AND PSEUDOBULBAR AFFECT | Merz Pharma GmbH & Co. KGaA (DE) | 2007-10-03 | — | — | EP | claimed |
| WO-2006069294-A1 | 1-AMINOCYCLOHEXANE-DERIVATIVES FOR THE TREATMENT OF MULTIPLE SCLEROSIS EMOTIONAL LABILITY AND PSEUDOBULBAR AFFECT | MERZ PHARMA GMBH & CO. KGAA (DE) | 2006-06-29 | — | — | WO | claimed |
| WO-2006119295-A2 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | COMBINATORX, INCORPORATED (US) | 2006-11-09 | — | — | WO | disclosed |