⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28320256 | 0.77 | — | — | |
| SCHEMBL1153789 | 0.76 | — | — | |
| SCHEMBL2276292 | 0.74 | — | — | |
| SCHEMBL11503275 | 0.72 | — | — | |
| SCHEMBL10918298 | 0.72 | — | — | |
| SCHEMBL7221553 | 0.72 | — | — | |
| SCHEMBL10439673 | 0.70 | — | — | |
| SCHEMBL429616 | 0.69 | — | — | |
| SCHEMBL2107101 | 0.69 | — | — | |
| Alcohol SCHEMBL27389623 | 0.69 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1904474-A1 | NEW PYRIDINE ANALOGUES | AstraZeneca AB (SE) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007008140-A1 | NEW PYRIDINE ANALOGUES | ASTRAZENECA AB (SE) | 2007-01-18 | — | — | WO | disclosed |