⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL30498493 | 0.99 | — | — | |
| Iodide SCHEMBL30498146 | 0.77 | — | — | |
| Iodide SCHEMBL30498370 | 0.73 | IL1B (0.35) | — | |
| Iodide SCHEMBL30498075 | 0.71 | — | — | |
| Iodide SCHEMBL30498337 | 0.70 | P2RX7 (0.33) | — | |
| SCHEMBL23966903 | 0.67 | ADK (0.33) | — | |
| SCHEMBL29484474 | 0.67 | ADK (0.33) | — | |
| SCHEMBL25421997 | 0.62 | KDM4E (0.30) | — | |
| Iodide SCHEMBL30498301 | 0.57 | HDAC8 (0.33) | — | |
| Iodide SCHEMBL30498093 | 0.56 | — | — |
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-2023109954-A1 | TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF | LYNK PHARMACEUTICALS CO. LTD. (CN) | 2023-06-22 | — | — | WO | disclosed |