⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9837724 | 0.84 | IKBKB (0.33) | — | |
| SCHEMBL10729692 | 0.81 | TOP2A (0.37) | — | |
| SCHEMBL9839234 | 0.78 | KDM4E (0.44) | — | |
| SCHEMBL9837703 | 0.76 | KDM4E (0.42) | — | |
| SCHEMBL9837945 | 0.73 | TOP2A (0.41) | — | |
| Hydrochloric Acid SCHEMBL9839667 | 0.73 | TOP2A (0.40) | — | |
| SCHEMBL9839307 | 0.73 | AADAT (0.33) | — | |
| SCHEMBL10391528 | 0.65 | KDM4E (0.63) | — | |
| SCHEMBL9839287 | 0.65 | KDM4E (0.45) | — | |
| SCHEMBL9824480 | 0.64 | ALDH1A1 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0228661-B1 | ISOXAZOLO-PYRIDO-BENZOXAZINE AND ISOTHIAZOLO-PYRIDO-BENZOXAZINE DERIVATIVES | ABBOTT LABORATORIES (US) | 1991-08-07 | — | — | EP | disclosed |
| US-4687770-A | Isoxazolo-pyrido-benzoxazine and isothiazolo-pyrido-benzoxazine derivatives | ABBOTT LABORATORIES (US) | 1987-08-18 | — | — | US | disclosed |
| EP-0228661-A1 | Isoxazolo-pyrido-benzoxazine and isothiazolo-pyrido-benzoxazine derivatives | ABBOTT LABORATORIES (US) | 1987-07-15 | — | — | EP | disclosed |