Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Dioxane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Dioxane SCHEMBL20445728 | 0.88 | — | — | |
| Dioxane SCHEMBL1096946 | 0.88 | — | — | |
| Dioxane SCHEMBL27498630 | 0.88 | — | — | |
| Bromide SCHEMBL10944537 | 0.88 | TTR (0.75) | — | |
| Dioxane SCHEMBL10387243 | 0.88 | — | — | |
| SCHEMBL1119 | 0.87 | TTR (1.00) | — | |
| Dioxane SCHEMBL9836999 | 0.87 | — | — | |
| SCHEMBL16041435 | 0.87 | TTR (1.00) | — | |
| Dioxane SCHEMBL3631647 | 0.87 | TTR (1.00) | — | |
| SCHEMBL78595 | 0.87 | TTR (1.00) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112449637-B | Benzothiazepine compounds and their use as bile acid modulators | 阿尔比里奥公司 | 2024-03-19 | — | — | CN | disclosed |
| US-20080275062-A1 | Chemical Compounds | SMITHKLINE BEECHAM CORPORATION | 2008-11-06 | — | — | US | disclosed |