⚠ 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 | |
|---|---|---|---|---|
| 3-Methylpyridine SCHEMBL2371112 | 1.00 | CYP2A6 (0.52) | — | |
| 3-Methylpyridine SCHEMBL820155 | 0.97 | CYP2A6 (0.54) | — | |
| 3-Methylpyridine SCHEMBL10530 | 0.97 | — | — | |
| 3-Methylpyridine SCHEMBL29361018 | 0.97 | — | — | |
| 3-Methylpyridine SCHEMBL8308038 | 0.94 | CYP2A6 (0.52) | — | |
| 3-Methylpyridine SCHEMBL6509626 | 0.94 | — | — | |
| 3-Methylpyridine SCHEMBL6514889 | 0.94 | — | — | |
| 3-Methylpyridine SCHEMBL3957265 | 0.94 | — | — | |
| 3-Methylpyridine SCHEMBL4759127 | 0.94 | — | — | |
| 3-Methylpyridine SCHEMBL5319498 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0173440-A1 | Separation of picoline isomers | UOP INC. (US) | 1986-03-05 | — | — | EP | disclosed |