⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL947083 | 0.85 | BACE1 (0.36) | — | |
| SCHEMBL6920536 | 0.84 | BACE1 (0.39) | — | |
| SCHEMBL944396 | 0.77 | NCOA1 (0.33) | — | |
| SCHEMBL945865 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL932469 | 0.77 | BACE1 (0.31) | — | |
| SCHEMBL944905 | 0.74 | BACE1 (0.51) | — | |
| SCHEMBL946379 | 0.72 | — | — | |
| SCHEMBL944298 | 0.68 | BACE1 (0.38) | — | |
| SCHEMBL943316 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL945249 | 0.65 | CHRNA1 (0.37) | — |
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-2011002408-A1 | NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA | ASTRAZENECA AB (SE) | 2011-01-06 | — | — | WO | disclosed |
| WO-2011002408-A1 | NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA | ASTRAZENECA AB (SE) | 2011-01-06 | — | — | WO | disclosed |