⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3700062 | 0.82 | CCR1 (0.30) | — | |
| SCHEMBL3741207 | 0.81 | LDHA (0.34) | — | |
| SCHEMBL3745574 | 0.80 | HTR2A (0.31) | — | |
| SCHEMBL5580038 | 0.79 | NISCH (0.32) | — | |
| SCHEMBL3703919 | 0.78 | SLC6A2 (0.32) | — | |
| SCHEMBL3706863 | 0.75 | MEN1 (0.38) | — | |
| SCHEMBL3706859 | 0.75 | MEN1 (0.38) | — | |
| SCHEMBL3709410 | 0.74 | HTR2A (0.30) | — | |
| SCHEMBL10200444 | 0.74 | HTR2A (0.40) | — | |
| Hydrochloric Acid SCHEMBL2106541 | 0.72 | HTR2A (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 3 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 |