⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21338942 | 0.79 | — | — | |
| SCHEMBL21338941 | 0.79 | — | — | |
| SCHEMBL21016677 | 0.78 | — | — | |
| SCHEMBL19336688 | 0.74 | — | — | |
| SCHEMBL23046590 | 0.72 | — | — | |
| SCHEMBL25809038 | 0.72 | — | — | |
| SCHEMBL22844063 | 0.72 | CA2 (0.37) | — | |
| SCHEMBL18715569 | 0.71 | — | — | |
| SCHEMBL18861975 | 0.71 | — | — | |
| SCHEMBL21768487 | 0.69 | KEAP1 (0.30) | — |
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-2023114366-A2 | SULFONAMIDE DERIVATIVES AND THEIR USE AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) | 2023-06-22 | — | — | WO | disclosed |