⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3226099 | 0.71 | EPHX1 (0.36) | — | |
| SCHEMBL6607182 | 0.69 | SLC6A3 (0.38) | — | |
| SCHEMBL29951285 | 0.65 | — | — | |
| SCHEMBL13900941 | 0.65 | — | — | |
| SCHEMBL28857477 | 0.65 | — | — | |
| SCHEMBL13900938 | 0.62 | — | — | |
| SCHEMBL1705951 | 0.61 | — | — | |
| SCHEMBL10113850 | 0.61 | EPHX1 (0.38) | — | |
| SCHEMBL13901124 | 0.60 | — | — | |
| SCHEMBL29956463 | 0.60 | — | — |
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-20100069244-A1 | Pyridine Compounds for Combating Pests | BASF SE (DE) | 2010-03-18 | — | — | US | disclosed |
| CN-101568258-A | Pyridine derivatives for combating pests | BASF SE (DE) | 2009-10-28 | — | — | CN | disclosed |