⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL43600 | 0.79 | LMNA (0.34) | — | |
| SCHEMBL11594454 | 0.77 | LMNA (0.33) | — | |
| SCHEMBL26864791 | 0.76 | LMNA (0.30) | — | |
| SCHEMBL9632504 | 0.72 | LMNA (0.32) | — | |
| Potassium Ion SCHEMBL9632525 | 0.72 | LMNA (0.32) | — | |
| SCHEMBL23617843 | 0.67 | — | — | |
| SCHEMBL41429 | 0.66 | CA1 (0.55) | — | |
| SCHEMBL12058950 | 0.65 | PER2 (0.35) | — | |
| SCHEMBL6460339 | 0.64 | EPHX1 (0.38) | — | |
| SCHEMBL10180979 | 0.62 | LMNA (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004089911-A1 | PYRAZOLE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS USEFUL IN THE TREATMENT OF ALZHEIMER’S DISEASE | MERCK SHARP & DOHME LIMITED (GB) | 2004-10-21 | — | — | WO | disclosed |