⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL907541 | 1.00 | — | — | |
| SCHEMBL659116 | 1.00 | — | — | |
| SCHEMBL657546 | 1.00 | — | — | |
| SCHEMBL657547 | 1.00 | — | — | |
| SCHEMBL5549710 | 1.00 | — | — | |
| SCHEMBL659299 | 1.00 | — | — | |
| SCHEMBL16321798 | 0.98 | — | — | |
| SCHEMBL14833275 | 0.98 | — | — | |
| SCHEMBL14833352 | 0.98 | — | — | |
| SCHEMBL16321799 | 0.98 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1228052-B1 | 1-CYCLIC AMINO-ALKYLCYCLOHEXANE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE AS ANTICONVULSANTS | MERZ PHARMA GMBH & CO KGAA (DE) | 2007-05-02 | — | — | EP | disclosed |