⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2035933 | 0.56 | CYP2A6 (0.34) | — | |
| SCHEMBL16101456 | 0.55 | PARP1 (0.32) | — | |
| SCHEMBL15387037 | 0.53 | — | — | |
| SCHEMBL18797686 | 0.51 | AURKA (0.42) | — | |
| SCHEMBL31338935 | 0.50 | — | — | |
| SCHEMBL21937234 | 0.48 | — | — | |
| Cyclohexane SCHEMBL23674790 | 0.48 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL28942848 | 0.47 | — | — | |
| Dioxane SCHEMBL23674718 | 0.47 | LMNA (0.62) | — | |
| SCHEMBL17104907 | 0.44 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007120596-A1 | DIHYDRO[1,4]DIOXINO[2,3-e]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS | WYETH (US) | 2007-10-25 | — | — | WO | disclosed |
| US-20070244179-A1 | Dihydro[1,4]dioxino[2,3-e]indazole derivatives as 5-hydroxytryptamine-6 ligands | WYETH (US) | 2007-10-18 | — | — | US | disclosed |
| US-20070244179-A1 | Dihydro[1,4]dioxino[2,3-e]indazole derivatives as 5-hydroxytryptamine-6 ligands | WYETH (US) | 2007-10-18 | — | — | US | disclosed |