⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3551700 | 0.72 | — | — | |
| SCHEMBL11813569 | 0.72 | — | — | |
| SCHEMBL28175122 | 0.69 | — | — | |
| SCHEMBL1894420 | 0.67 | — | — | |
| SCHEMBL23421 | 0.67 | — | — | |
| SCHEMBL1896095 | 0.67 | — | — | |
| SCHEMBL9830448 | 0.67 | — | — | |
| SCHEMBL11125496 | 0.67 | TP53 (0.33) | — | |
| SCHEMBL19518804 | 0.65 | — | — | |
| SCHEMBL6586016 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4065129-A1 | USE OF COMPOUNDS FOR THE PREVENTION AND/OR TREATMENT OF ANKYLOSING SPONDYLITIS, AND CORRESPONDING COMPOSITIONS | Nuvamid SA (CH) | 2022-10-05 | — | — | EP | disclosed |
| WO-2021105461-A1 | USE OF COMPOUNDS FOR THE PREVENTION AND/OR TREATMENT OF ANKYLOSING SPONDYLITIS, AND CORRESPONDING COMPOSITIONS | NUVAMID SA (CH) | 2021-06-03 | — | — | WO | disclosed |