⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12308388 | 0.94 | — | — | |
| SCHEMBL12335920 | 0.82 | HPGD (0.39) | — | |
| SCHEMBL12308911 | 0.81 | — | — | |
| SCHEMBL12308392 | 0.78 | — | — | |
| SCHEMBL12335921 | 0.75 | HPGD (0.41) | — | |
| SCHEMBL12308908 | 0.74 | — | — | |
| SCHEMBL12308389 | 0.73 | GRM2 (0.33) | — | |
| SCHEMBL12308386 | 0.72 | CYP1A2 (0.37) | — | |
| SCHEMBL12308855 | 0.71 | — | — | |
| SCHEMBL23916964 | 0.70 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8017638-B2 | Isoxazole derivative and isothiazole derivative having inhibitory activity on 11β-hydroxysteroid dehydrogenase type 1 | SHIONOGI & CO., LTD. (JP) | 2011-09-13 | — | — | US | disclosed |
| US-20090131491-A1 | ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I | SHIONOGI & CO., LTD. (JP) | 2009-05-21 | — | — | US | disclosed |