⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22814465 | 0.85 | — | — | |
| SCHEMBL26805838 | 0.85 | — | — | |
| SCHEMBL28265113 | 0.79 | — | — | |
| Water SCHEMBL1358110 | 0.78 | — | — | |
| SCHEMBL4454825 | 0.73 | — | — | |
| SCHEMBL20795887 | 0.73 | — | — | |
| SCHEMBL28380644 | 0.71 | — | — | |
| SCHEMBL21323159 | 0.70 | — | — | |
| SCHEMBL16594156 | 0.70 | — | — | |
| SCHEMBL6865251 | 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 2 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 | disclosed |
| 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 | disclosed |