⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2044899 | 0.58 | — | — | |
| SCHEMBL2041170 | 0.58 | — | — | |
| SCHEMBL2039357 | 0.58 | — | — | |
| SCHEMBL2040510 | 0.58 | — | — | |
| SCHEMBL2044446 | 0.58 | — | — | |
| SCHEMBL2041319 | 0.57 | — | — | |
| SCHEMBL2046594 | 0.57 | — | — | |
| SCHEMBL2045094 | 0.57 | — | — | |
| SCHEMBL2042852 | 0.54 | — | — | |
| SCHEMBL317999 | 0.46 | MEN1 (0.75) | — |
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 1 patent. 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 |