⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1033358 | 0.60 | — | — | |
| SCHEMBL2044398 | 0.60 | — | — | |
| SCHEMBL3293293 | 0.56 | MAPT (0.39) | — | |
| SCHEMBL3302919 | 0.56 | TSHR (0.56) | — | |
| SCHEMBL22567 | 0.56 | ALDH1A1 (0.72) | — | |
| SCHEMBL27909482 | 0.56 | ALDH1A1 (0.72) | — | |
| Ammonia Solution, Strong SCHEMBL27511010 | 0.54 | ALDH1A1 (0.68) | — | |
| Hydrogen Sulfide SCHEMBL27319417 | 0.54 | ALDH1A1 (0.68) | — | |
| SCHEMBL27986433 | 0.54 | ALDH1A1 (0.68) | — | |
| SCHEMBL27830410 | 0.54 | ALDH1A1 (0.68) | — |
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-20080146593-A1 | Substituted 5-Phenyl Pyrimidines I In Therapy | BASF AKTIENGESELLSCHAFT (DE) | 2008-06-19 | — | — | US | disclosed |