⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2493892 | 0.64 | MAP3K14 (0.44) | — | |
| SCHEMBL11702847 | 0.61 | — | — | |
| Ammonia Solution, Strong SCHEMBL11704948 | 0.61 | — | — | |
| SCHEMBL11702833 | 0.61 | — | — | |
| SCHEMBL16167221 | 0.60 | MEN1 (0.30) | — | |
| SCHEMBL9637920 | 0.58 | CCR2 (0.38) | — | |
| SCHEMBL28704649 | 0.57 | — | — | |
| SCHEMBL2044066 | 0.56 | — | — | |
| Ammonia Solution, Strong SCHEMBL11700744 | 0.56 | — | — | |
| SCHEMBL7574923 | 0.56 | — | — |
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 |