⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1979305 | 1.00 | — | — | |
| SCHEMBL1980929 | 0.83 | MAPT (0.31) | — | |
| SCHEMBL6413133 | 0.80 | — | — | |
| SCHEMBL6413130 | 0.80 | — | — | |
| SCHEMBL6078921 | 0.70 | — | — | |
| SCHEMBL516164 | 0.69 | — | — | |
| SCHEMBL15109188 | 0.69 | — | — | |
| SCHEMBL1979278 | 0.66 | APOBEC3A (0.34) | — | |
| SCHEMBL1979282 | 0.66 | APOBEC3A (0.34) | — | |
| SCHEMBL781958 | 0.57 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8586753-B2 | Process for the preparation of 1-alkyl and 1-aryl-5-pyrazolecarboxylic acid derivatives | BAYER CROPSCIENCE AG (DE) | 2013-11-19 | — | — | US | disclosed |
| 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-2513063-A1 | METHOD FOR PRODUCING 1-ALKYL-/1-ARYL-5-PYRAZOLE-CARBOXYLIC ACID DERIVATIVES | Bayer CropScience AG (DE) | 2012-10-24 | — | — | 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 |
| US-20110152532-A1 | Process For The Preparation Of 1-Alkyl And 1-Aryl-5-pyrazolecarboxylic Acid Derivatives | BAYER CROPSCIENCE AG (DE) | 2011-06-23 | — | — | 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 |
| WO-2011073101-A1 | METHOD FOR PRODUCING 1-ALKYL-/1-ARYL-5-PYRAZOLE-CARBOXYLIC ACID DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2011-06-23 | — | — | WO | disclosed |