⚠ 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 SCHEMBL4427664 | 0.80 | PRSS1 (0.33) | — | |
| SCHEMBL4427672 | 0.79 | — | — | |
| SCHEMBL4255620 | 0.74 | HTT (0.34) | — | |
| SCHEMBL5484652 | 0.68 | PRSS1 (0.30) | — | |
| SCHEMBL2338031 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL4427667 | 0.67 | — | — | |
| SCHEMBL3759743 | 0.65 | — | — | |
| SCHEMBL29233709 | 0.60 | ALDH1A1 (0.43) | — | |
| SCHEMBL21606216 | 0.60 | LMNA (0.41) | — | |
| SCHEMBL20601116 | 0.59 | ALDH1A1 (0.46) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1711470-A1 | MALONAMIDE DERIVATIVES BLOCKING THE ACTIVTIY OF GAMMA-SECRETASE | F. HOFFMANN-LA ROCHE AG (CH) | 2006-10-18 | — | — | EP | disclosed |
| EP-1673347-A1 | SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS | F. Hoffman-la Roche AG (CH) | 2006-06-28 | — | — | EP | disclosed |
| WO-2005040126-A1 | SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS | F. HOFFMAN-LA ROCHE AG (CH) | 2005-05-06 | — | — | WO | disclosed |
| WO-2005023772-A1 | MALONAMIDE DERIVATIVES BLOCKING THE ACTIVITY OF GAMA-SECRETASE | F. HOFFMANN-LA ROCHE AG (CH) | 2005-03-17 | — | — | WO | disclosed |