⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL34946 | 0.72 | — | — | |
| SCHEMBL1979147 | 0.67 | — | — | |
| SCHEMBL8855266 | 0.65 | — | — | |
| SCHEMBL9348917 | 0.65 | — | — | |
| SCHEMBL9880090 | 0.65 | — | — | |
| SCHEMBL23117373 | 0.64 | — | — | |
| SCHEMBL6297933 | 0.62 | — | — | |
| SCHEMBL9559663 | 0.59 | — | — | |
| SCHEMBL6300269 | 0.59 | — | — | |
| SCHEMBL15297080 | 0.59 | MEN1 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2513082-B1 | New dioxalane and dioxane derivatives and method for producing same | BAYER CROPSCIENCE AG (DE) | 2013-10-02 | — | — | EP | disclosed |
| EP-2513082-A1 | NOVEL DIOXOLANE AND DIOXANE DERIVATIVES, AND A METHOD FOR THE PRODUCTION THEREOF | Bayer CropScience AG (DE) | 2012-10-24 | — | — | EP | disclosed |
| US-8222435-B2 | Dioxolane and dioxane derivatives and a process for their preparation | BAYER CROPSCIENCE AG (DE) | 2012-07-17 | — | — | US | disclosed |
| WO-2011073100-A1 | NOVEL DIOXOLANE AND DIOXANE DERIVATIVES, AND A METHOD FOR THE PRODUCTION THEREOF | BAYER CROPSCIENCE AG (DE) | 2011-06-23 | — | — | WO | disclosed |
| US-20110152531-A1 | Novel Dioxolane And Dioxane Derivatives And A Process For Their Preparation | BAYER CROPSCIENCE AG (DE) | 2011-06-23 | — | — | US | disclosed |