⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8765129 | 1.00 | — | — | |
| SCHEMBL8764299 | 0.82 | — | — | |
| SCHEMBL8764302 | 0.82 | — | — | |
| SCHEMBL11725737 | 0.73 | — | — | |
| SCHEMBL29951933 | 0.70 | — | — | |
| SCHEMBL18152503 | 0.67 | TDP1 (0.32) | — | |
| SCHEMBL16809895 | 0.67 | TDP1 (0.32) | — | |
| SCHEMBL698313 | 0.66 | — | — | |
| SCHEMBL11552509 | 0.66 | — | — | |
| SCHEMBL8765133 | 0.65 | MEN1 (0.40) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0375670-B1 | Process for preparing 3-polyfluoroalkylisoxazolylamines | SHIONOGI & CO (JP) | 1997-08-06 | — | — | EP | disclosed |
| EP-0220947-B1 | Polyfluoroalkylisoxazolylamines, their preparation and use | SHIONOGI & CO (JP) | 1994-06-15 | — | — | EP | disclosed |
| EP-0375670-A2 | Process for preparing 3-polyfluoroalkylisoxazolylamines | SHIONOGI & CO., LTD. (JP) | 1990-06-27 | — | — | EP | disclosed |
| US-4797492-A | INTERMEDIATES FOR BACTERICIDES; HERBICIDES OR FUNGICIDES | SHIONOGI & CO., LTD. (JP) | 1989-01-10 | — | — | US | disclosed |
| EP-0220947-A2 | Polyfluoroalkylisoxazolylamines, their preparation and use | SHIONOGI & CO., LTD. (JP) | 1987-05-06 | — | — | EP | disclosed |