⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9416806 | 0.88 | — | — | |
| SCHEMBL586720 | 0.82 | CA2 (0.35) | — | |
| SCHEMBL1013121 | 0.79 | MEN1 (0.31) | — | |
| SCHEMBL1012600 | 0.78 | MEN1 (0.32) | — | |
| SCHEMBL23982534 | 0.75 | MEN1 (0.31) | — | |
| SCHEMBL16996976 | 0.74 | HCAR2 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL2943006 | 0.71 | MEN1 (0.46) | — | |
| SCHEMBL11966189 | 0.71 | — | — | |
| SCHEMBL9416889 | 0.71 | EGFR (0.33) | — | |
| SCHEMBL3770681 | 0.69 | NOTUM (0.41) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0220947-B1 | Polyfluoroalkylisoxazolylamines, their preparation and use | SHIONOGI & CO (JP) | 1994-06-15 | — | — | EP | claimed |
| EP-0220947-A2 | Polyfluoroalkylisoxazolylamines, their preparation and use | SHIONOGI & CO., LTD. (JP) | 1987-05-06 | — | — | EP | claimed |
| JP-62138484-A | — | — | None | — | — | JP | disclosed |
| 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-4910326-A | β-ketonitrils | SHIONOGI & CO., LTD. (JP) | 1990-03-20 | — | — | US | disclosed |
| EP-0304966-A2 | Beta-ketonitriles | SHIONOGI & CO., LTD. (JP) | 1989-03-01 | — | — | EP | disclosed |
| US-4797492-A | INTERMEDIATES FOR BACTERICIDES; HERBICIDES OR FUNGICIDES | SHIONOGI & CO., LTD. (JP) | 1989-01-10 | — | — | US | disclosed |
| JP-S62138484-A | HALOACETAMIDE ISOOXAZOLE DERIVATIVE | SHIONOGI & CO LTD | 1987-06-22 | — | — | JP | disclosed |
| EP-0220947-A2 | Polyfluoroalkylisoxazolylamines, their preparation and use | SHIONOGI & CO., LTD. (JP) | 1987-05-06 | — | — | EP | disclosed |