⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2903364 | 0.74 | NPC1 (0.36) | — | |
| SCHEMBL577973 | 0.70 | ALDH1A1 (0.46) | — | |
| SCHEMBL2752330 | 0.68 | HTR2C (0.39) | — | |
| SCHEMBL2752772 | 0.68 | ALDH1A1 (0.40) | — | |
| SCHEMBL2894960 | 0.66 | HSD11B1 (0.39) | — | |
| SCHEMBL18952901 | 0.65 | APEX1 (0.34) | — | |
| SCHEMBL2753759 | 0.64 | TRPM8 (0.31) | — | |
| SCHEMBL679591 | 0.63 | RAB9A (0.38) | — | |
| SCHEMBL2092347 | 0.62 | AHR (0.46) | — | |
| SCHEMBL5535700 | 0.62 | ALDH1A1 (0.33) | — |
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 |