⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2902971 | 0.86 | — | — | |
| SCHEMBL3392199 | 0.74 | POLB (0.36) | — | |
| SCHEMBL2902281 | 0.70 | OXTR (0.31) | — | |
| SCHEMBL2902947 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL2897537 | 0.69 | MGLL (0.33) | — | |
| SCHEMBL2902936 | 0.69 | KCNN4 (0.35) | — | |
| SCHEMBL28417638 | 0.68 | PTGS2 (0.35) | — | |
| SCHEMBL16927655 | 0.66 | HCAR1 (0.31) | — | |
| SCHEMBL16927602 | 0.66 | — | — | |
| SCHEMBL2897658 | 0.65 | HSD11B1 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2342196-B1 | PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS | BASF SE (DE) | 2015-07-29 | — | — | EP | disclosed |
| US-20100305124-A1 | Acylated Aminopyridine and Aminopyridazine Insecticides | BAYER CROPSCIENCE AG (DE) | 2010-12-02 | — | — | US | disclosed |
| EP-2236505-A1 | Acylated aminopyridines and pyridazines as insecticides | Bayer CropScience AG (DE) | 2010-10-06 | — | — | EP | disclosed |