⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL127248 | 0.83 | — | — | |
| SCHEMBL12353783 | 0.78 | GAA (0.31) | — | |
| SCHEMBL5132727 | 0.77 | PRKACA (0.33) | — | |
| SCHEMBL5132726 | 0.77 | PRKACA (0.33) | — | |
| SCHEMBL12926314 | 0.77 | AKR1C3 (0.31) | — | |
| SCHEMBL24267486 | 0.75 | CYP1A2 (0.36) | — | |
| SCHEMBL16326725 | 0.75 | CYP1A2 (0.36) | — | |
| SCHEMBL18435772 | 0.75 | POLB (0.32) | — | |
| SCHEMBL2466757 | 0.74 | — | — | |
| SCHEMBL3020079 | 0.74 | — | — |
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-3057942-B1 | 1,4-CYCLOHEXYLAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | CHEMO RES S L (ES) | 2017-06-14 | — | — | EP | disclosed |