⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10317116 | 1.00 | — | — | |
| SCHEMBL1980627 | 0.82 | KDM4E (0.33) | — | |
| SCHEMBL1982610 | 0.75 | — | — | |
| SCHEMBL1979303 | 0.75 | — | — | |
| SCHEMBL516164 | 0.71 | — | — | |
| SCHEMBL1980628 | 0.64 | — | — | |
| SCHEMBL1980391 | 0.63 | APOBEC3A (0.36) | — | |
| SCHEMBL1980389 | 0.63 | APOBEC3A (0.36) | — | |
| SCHEMBL1979147 | 0.56 | — | — | |
| SCHEMBL1148113 | 0.56 | LMNA (0.38) | — |
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 6 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-2513082-A1 | NOVEL DIOXOLANE AND DIOXANE DERIVATIVES, AND A METHOD FOR THE PRODUCTION THEREOF | Bayer CropScience AG (DE) | 2012-10-24 | — | — | 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 |
| US-8222435-B2 | Dioxolane and dioxane derivatives and a process for their preparation | BAYER CROPSCIENCE AG (DE) | 2012-07-17 | — | — | US | disclosed |