⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4094812 | 0.77 | — | — | |
| SCHEMBL3402240 | 0.76 | — | — | |
| SCHEMBL3406552 | 0.72 | — | — | |
| SCHEMBL3402434 | 0.67 | — | — | |
| SCHEMBL23653473 | 0.66 | MEN1 (0.44) | — | |
| SCHEMBL3406577 | 0.65 | OPRM1 (0.33) | — | |
| SCHEMBL14931971 | 0.62 | CHRM1 (0.35) | — | |
| SCHEMBL13622785 | 0.62 | CHRM1 (0.35) | — | |
| SCHEMBL14931970 | 0.62 | CHRM1 (0.35) | — | |
| SCHEMBL12465280 | 0.62 | MEN1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090215725-A1 | Substituted 4-aminocyclohexane derivatives | GRUNENTHAL GMBH (DE) | 2009-08-27 | — | — | US | disclosed |