⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19881661 | 0.78 | — | — | |
| SCHEMBL25558086 | 0.71 | — | — | |
| SCHEMBL25032322 | 0.71 | — | — | |
| SCHEMBL4451955 | 0.70 | — | — | |
| SCHEMBL18517325 | 0.66 | BACE1 (0.32) | — | |
| SCHEMBL1485900 | 0.66 | — | — | |
| SCHEMBL2763043 | 0.65 | TRPA1 (0.33) | — | |
| SCHEMBL12127472 | 0.65 | — | — | |
| SCHEMBL22100981 | 0.65 | GAA (0.44) | — | |
| SCHEMBL21514776 | 0.65 | SIGMAR1 (0.39) | — |
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-2023096304-A1 | ISOXAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND USE THEREOF | 한양대학교 에리카산학협력단 | 2023-06-01 | — | — | WO | disclosed |