⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2895461 | 0.71 | — | — | |
| SCHEMBL1980628 | 0.67 | — | — | |
| Acetic Acid SCHEMBL4868113 | 0.56 | FFAR3 (0.54) | — | |
| Acetone SCHEMBL9320708 | 0.54 | LMNA (0.55) | — | |
| Acetic Acid SCHEMBL28034062 | 0.54 | CA1 (0.64) | — | |
| Acetic Acid SCHEMBL27800492 | 0.53 | — | — | |
| Acetic Acid SCHEMBL11049807 | 0.53 | FFAR3 (0.78) | — | |
| Acetic Acid SCHEMBL29227892 | 0.53 | — | — | |
| Acetic Acid SCHEMBL8158174 | 0.52 | FFAR3 (0.58) | — | |
| Acetic Acid SCHEMBL1674890 | 0.52 | FFAR3 (0.58) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2513063-B1 | Method for manufacturing 1-alkyl-/1-aryl-5-pyrazolcarbonic acid derivatives | BAYER CROPSCIENCE AG (DE) | 2013-11-06 | — | — | EP | disclosed |
| 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 |
| WO-2011073100-A1 | NOVEL DIOXOLANE AND DIOXANE DERIVATIVES, AND A METHOD FOR THE PRODUCTION THEREOF | BAYER CROPSCIENCE AG (DE) | 2011-06-23 | — | — | WO | disclosed |