⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25915805 | 0.80 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL10074744 | 0.74 | — | — | |
| SCHEMBL27306088 | 0.72 | ALDH1A1 (0.48) | — | |
| SCHEMBL5426437 | 0.69 | NLRP3 (0.39) | — | |
| SCHEMBL25001234 | 0.67 | — | — | |
| SCHEMBL8350616 | 0.65 | — | — | |
| SCHEMBL1002690 | 0.65 | — | — | |
| SCHEMBL26039174 | 0.65 | — | — | |
| SCHEMBL10577901 | 0.64 | — | — | |
| SCHEMBL1088263 | 0.64 | — | — |
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-2024054997-A1 | INFLAMMASOME INHIBITION FOR NEUROPROTECTION | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2024-03-14 | — | — | WO | disclosed |