⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL607119 | 0.88 | — | — | |
| SCHEMBL9824884 | 0.85 | KMT2A (0.46) | — | |
| SCHEMBL9824335 | 0.85 | — | — | |
| SCHEMBL606887 | 0.85 | — | — | |
| SCHEMBL605801 | 0.84 | — | — | |
| SCHEMBL2933803 | 0.84 | — | — | |
| SCHEMBL9824655 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL606325 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL606324 | 0.83 | — | — | |
| SCHEMBL9824254 | 0.83 | KMT2A (0.34) | — |
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-0227088-B1 | ISOXAZOLO-NAPHTHYRIDINE, ISOXAZOLO QUINOLINE, ISOTHIAZOLONAPHTHYRIDINE, AND ISOTHIAZOLOQUINOLINE DERIVATIVES | ABBOTT LABORATORIES (US) | 1991-08-07 | — | — | EP | disclosed |
| US-4767762-A | Tricyclic quinoline and naphthyride antibacterials | ABBOTT LABORATORIES (US) | 1988-08-30 | — | — | US | disclosed |
| EP-0227088-A1 | Isoxazolo-naphthyridine, isoxazolo quinoline, isothiazolonaphthyridine, and isothiazoloquinoline derivatives | ABBOTT LABORATORIES (US) | 1987-07-01 | — | — | EP | disclosed |