⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14775259 | 0.80 | — | — | |
| SCHEMBL9169466 | 0.78 | — | — | |
| SCHEMBL7639800 | 0.76 | — | — | |
| SCHEMBL19857237 | 0.76 | CA2 (0.39) | — | |
| SCHEMBL216633 | 0.76 | ALDH1A1 (0.32) | — | |
| Lithium Ion SCHEMBL18007838 | 0.74 | — | — | |
| SCHEMBL18007980 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL5470175 | 0.74 | ALDH1A1 (0.31) | — | |
| Potassium Ion SCHEMBL4455273 | 0.74 | — | — | |
| SCHEMBL12542079 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1940803-A1 | 1,2-DIARYLIMIDAZOLES FOR USE AS CBI MODULATORS | AstraZeneca AB (SE) | 2008-07-09 | — | — | EP | disclosed |
| EP-1915364-A1 | PYRAZOLE DERIVATIVES AS THERAPEUTIC AGENTS | AstraZeneca AB (SE) | 2008-04-30 | — | — | EP | disclosed |
| WO-2007031720-A1 | 1,2-DIARYLIMIDAZOLES FOR USE AS CBI MODULATORS | ASTRAZENECA AB (SE) | 2007-03-22 | — | — | WO | disclosed |
| WO-2007020388-A1 | PYRAZOLE DERIVATIVES AS THERAPEUTIC AGENTS | ASTRAZENECA AB (SE) | 2007-02-22 | — | — | WO | disclosed |