⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3700977 | 0.98 | SMN1; SMN2 (0.47) | — | |
| SCHEMBL30835142 | 0.82 | NOS2 (0.37) | — | |
| SCHEMBL21794157 | 0.82 | — | — | |
| SCHEMBL1864816 | 0.82 | — | — | |
| SCHEMBL2301157 | 0.78 | — | — | |
| SCHEMBL1579635 | 0.78 | — | — | |
| SCHEMBL2301161 | 0.78 | — | — | |
| SCHEMBL2301159 | 0.78 | — | — | |
| SCHEMBL1579633 | 0.78 | — | — | |
| SCHEMBL2301166 | 0.78 | — | — |
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 5 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 |
| 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 |
| US-20120122843-A1 | Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases | ASTRAZENECA AB (SE) | 2012-05-17 | — | — | US | disclosed |
| US-20120122843-A1 | Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases | ASTRAZENECA AB (SE) | 2012-05-17 | — | — | US | disclosed |