⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1581414 | 0.79 | GABRA1 (0.33) | — | |
| SCHEMBL4051693 | 0.78 | NOS2 (0.38) | — | |
| SCHEMBL17103650 | 0.75 | — | — | |
| SCHEMBL1244329 | 0.71 | — | — | |
| SCHEMBL1809188 | 0.71 | — | — | |
| SCHEMBL1387765 | 0.71 | — | — | |
| SCHEMBL7057516 | 0.68 | — | — | |
| SCHEMBL5264341 | 0.68 | — | — | |
| SCHEMBL2028928 | 0.67 | — | — | |
| SCHEMBL7588160 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2615917-A2 | PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III | BASF SE (DE) | 2013-07-24 | — | — | EP | disclosed |
| US-20130180014-A1 | Pyridine Compounds for Controlling Invertebrate Pests III | BASF SE (DE) | 2013-07-11 | — | — | US | disclosed |
| WO-2012034959-A2 | PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III | BASF SE (DE) | 2012-03-22 | — | — | WO | disclosed |