⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20795887 | 0.81 | — | — | |
| SCHEMBL4454825 | 0.81 | — | — | |
| SCHEMBL28265113 | 0.75 | — | — | |
| SCHEMBL4241418 | 0.75 | — | — | |
| SCHEMBL3672445 | 0.73 | — | — | |
| Water SCHEMBL5608423 | 0.73 | — | — | |
| SCHEMBL21323159 | 0.72 | — | — | |
| SCHEMBL6061601 | 0.72 | — | — | |
| Water SCHEMBL1358110 | 0.70 | — | — | |
| Iodide SCHEMBL29025952 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021134086-A1 | ARYLCYCLOHEXYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS | GILGAMESH PHARMACEUTICALS, INC. (US) | 2021-07-01 | — | — | WO | disclosed |