⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2384026 | 0.78 | — | — | |
| SCHEMBL10549962 | 0.76 | LMNA (0.62) | — | |
| SCHEMBL4029279 | 0.75 | ALDH1A1 (0.48) | — | |
| SCHEMBL497562 | 0.75 | — | — | |
| SCHEMBL29691623 | 0.74 | CYP11B1 (0.86) | — | |
| SCHEMBL29691639 | 0.74 | CYP11B1 (0.86) | — | |
| SCHEMBL8911420 | 0.74 | ALDH1A1 (0.62) | — | |
| SCHEMBL73921 | 0.72 | — | — | |
| SCHEMBL3228247 | 0.72 | — | — | |
| SCHEMBL29691548 | 0.72 | CYP11B1 (0.82) | — |
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 |