⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12128127 | 0.83 | PDE4B (0.35) | — | |
| SCHEMBL12131830 | 0.77 | AKR1C3 (0.36) | — | |
| SCHEMBL12127652 | 0.76 | HTR6 (0.40) | — | |
| SCHEMBL12131768 | 0.75 | HTR6 (0.38) | — | |
| SCHEMBL12131755 | 0.75 | HTR6 (0.38) | — | |
| SCHEMBL12128199 | 0.73 | APP (0.35) | — | |
| SCHEMBL21088212 | 0.72 | HTR6 (0.34) | — | |
| SCHEMBL12127557 | 0.71 | HTR6 (0.46) | — | |
| SCHEMBL12128235 | 0.71 | APP (0.37) | — | |
| SCHEMBL12132037 | 0.70 | SCN9A (0.48) | — |
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-2558446-B1 | NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS | AC IMMUNE SA (CH) | 2019-06-12 | — | — | EP | disclosed |