⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12703772 | 0.58 | — | — | |
| SCHEMBL676625 | 0.50 | — | — | |
| SCHEMBL5891189 | 0.48 | — | — | |
| SCHEMBL149977 | 0.45 | — | — | |
| SCHEMBL129408 | 0.45 | — | — | |
| O-Xylene SCHEMBL8668583 | 0.45 | — | — | |
| SCHEMBL11286961 | 0.45 | — | — | |
| SCHEMBL16081714 | 0.45 | — | — | |
| SCHEMBL39444 | 0.44 | TSHR (0.57) | — | |
| SCHEMBL8619374 | 0.43 | — | — |
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 |