⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2042458 | 0.61 | — | — | |
| SCHEMBL9911163 | 0.46 | — | — | |
| SCHEMBL11299951 | 0.44 | — | — | |
| SCHEMBL29494 | 0.37 | — | — | |
| Calcium Chloride SCHEMBL5381230 | 0.36 | — | — | |
| SCHEMBL7079561 | 0.34 | — | — | |
| SCHEMBL29437691 | 0.34 | — | — | |
| Calcium Chloride SCHEMBL23803973 | 0.33 | — | — | |
| Calcium Chloride SCHEMBL25175017 | 0.33 | — | — | |
| Calcium Chloride SCHEMBL20577233 | 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-20120291159-A1 | Azoline Compounds for Combating Invertebrate Pests | BASF SE (DE) | 2012-11-15 | — | — | US | disclosed |
| WO-2011073444-A2 | AZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |