⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL271402 | 0.69 | CYP2C9 (0.44) | — | |
| SCHEMBL7101024 | 0.57 | TDP1 (0.32) | — | |
| SCHEMBL10583660 | 0.57 | AHR (0.30) | — | |
| SCHEMBL15012589 | 0.56 | CYP2C9 (0.40) | — | |
| SCHEMBL4619988 | 0.56 | CYP19A1 (0.37) | — | |
| SCHEMBL11127488 | 0.54 | HTT (0.38) | — | |
| SCHEMBL24489433 | 0.54 | NISCH (0.33) | — | |
| SCHEMBL9844880 | 0.54 | MAOA (0.38) | — | |
| SCHEMBL3804973 | 0.53 | — | — | |
| SCHEMBL5532233 | 0.53 | MAOA (0.42) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0227039-B1 | ISOXAZOLO-PYRIDO-PHENOXAZINE AND ISOTHIAZOLO-PYRIDO-PHENOXAZINE DERIVATIVES | ABBOTT LABORATORIES (US) | 1991-08-07 | — | — | EP | disclosed |