⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11040839 | 0.71 | — | — | |
| SCHEMBL11040845 | 0.71 | — | — | |
| SCHEMBL8744983 | 0.69 | — | — | |
| SCHEMBL2095164 | 0.67 | — | — | |
| SCHEMBL936232 | 0.67 | — | — | |
| SCHEMBL11043238 | 0.67 | — | — | |
| SCHEMBL13534781 | 0.65 | — | — | |
| SCHEMBL105383 | 0.60 | — | — | |
| SCHEMBL119257 | 0.60 | — | — | |
| SCHEMBL4945757 | 0.60 | ALDH1A1 (0.33) | — |
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 1 patent. 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 |