⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2903496 | 0.79 | KDM4E (0.31) | — | |
| SCHEMBL17800968 | 0.74 | ALDH1A1 (0.46) | — | |
| SCHEMBL9952500 | 0.69 | BTK (0.43) | — | |
| SCHEMBL2752572 | 0.68 | MGAM (0.52) | — | |
| SCHEMBL5526822 | 0.68 | GABRA1 (0.40) | — | |
| SCHEMBL29084150 | 0.64 | P2RX3 (0.50) | — | |
| SCHEMBL2753012 | 0.62 | HIF1A (0.39) | — | |
| SCHEMBL2751735 | 0.62 | TLR7 (0.39) | — | |
| SCHEMBL8750488 | 0.62 | GABRA1 (0.46) | — | |
| SCHEMBL15854157 | 0.61 | ESR1 (0.54) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |