⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4841793 | 0.92 | MAPT (0.41) | — | |
| Trifluoroacetic Acid SCHEMBL5261300 | 0.90 | KDM4E (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL4844208 | 0.89 | CYP3A4 (0.46) | — | |
| Trifluoroacetic Acid SCHEMBL5258414 | 0.88 | MEN1 (0.43) | — | |
| Trifluoroacetic Acid SCHEMBL4838285 | 0.88 | ADRB1 (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL4843535 | 0.87 | KDM4E (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL4834190 | 0.87 | MEN1 (0.39) | — | |
| Trifluoroacetic Acid SCHEMBL4844154 | 0.87 | ADRB1 (0.39) | — | |
| Trifluoroacetic Acid SCHEMBL4834992 | 0.87 | HDAC3 (0.36) | — | |
| Trifluoroacetic Acid SCHEMBL4845402 | 0.86 | MEN1 (0.39) | — |
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-1539759-B1 | NOVEL IMIDAZOPYRIDINES AND THEIR USE | ASTRAZENECA AB (SE) | 2007-08-15 | — | — | EP | disclosed |