⚠ 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 SCHEMBL3084633 | 0.98 | — | — | |
| SCHEMBL12733688 | 0.98 | — | — | |
| SCHEMBL6629718 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL3079600 | 0.91 | — | — | |
| SCHEMBL12733696 | 0.90 | — | — | |
| SCHEMBL15255689 | 0.82 | — | — | |
| SCHEMBL746781 | 0.76 | CHEK1 (0.36) | — | |
| SCHEMBL3251801 | 0.76 | — | — | |
| SCHEMBL25090726 | 0.76 | ESR1 (0.31) | — | |
| SCHEMBL25231616 | 0.73 | CHEK1 (0.35) | — |
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-1485086-A1 | AZABICYCLIC, AZATRICYCLIC AND AZASPIROCYCLIC DERIVATIVES OF AMINOCYCLOHEXANE AS NMDA, 5HT3, AND NEURONAL NICOTINIC RECEPTOR ANTAGONISTS | Merz Pharma GmbH & Co. KGaA (DE) | 2004-12-15 | — | — | EP | claimed |
| WO-2003080046-A1 | AZABICYCLIC, AZATRICYCLIC AND AZASPIROCYCLIC DERIVATIVES OF AMINOCYCLOHEXANE NMDA, 5HT3, AND NEURONAL NICOTINIC RECEPTOR ANTAGONI STS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2003-10-02 | — | — | WO | claimed |