⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL822973 | 0.82 | ALDH1A1 (0.42) | — | |
| SCHEMBL51214 | 0.72 | — | — | |
| SCHEMBL4814849 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL18601314 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL12872768 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL11280373 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL2395825 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL2512480 | 0.69 | ALDH1A1 (0.32) | — | |
| Water SCHEMBL5178814 | 0.67 | ALDH1A1 (0.39) | — | |
| SCHEMBL2354775 | 0.67 | TSHR (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012064269-A1 | COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES | ASTRAZENECA AB (SE) | 2012-05-18 | — | — | WO | disclosed |
| US-20120122843-A1 | Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases | ASTRAZENECA AB (SE) | 2012-05-17 | — | — | US | disclosed |