⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2047043 | 0.55 | — | — | |
| SCHEMBL2041154 | 0.55 | — | — | |
| SCHEMBL2040948 | 0.55 | — | — | |
| SCHEMBL135948 | 0.55 | — | — | |
| SCHEMBL23163190 | 0.55 | ERBB2 (0.35) | — | |
| SCHEMBL29350921 | 0.54 | ALDH1A1 (0.38) | — | |
| SCHEMBL131953 | 0.54 | — | — | |
| Methane SCHEMBL28226016 | 0.54 | NEK2 (0.33) | — | |
| Lithium SCHEMBL30306385 | 0.54 | NEK2 (0.33) | — | |
| SCHEMBL1228399 | 0.51 | — | — |
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 3 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 |
| US-20070049591-A1 | Inhibitors of MAPK/Erk Kinase | KALYPSYS, INC. | 2007-03-01 | — | — | US | disclosed |