⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3283687 | 0.73 | — | — | |
| SCHEMBL25267137 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL27553220 | 0.71 | — | — | |
| SCHEMBL28992153 | 0.71 | LMNA (0.32) | — | |
| SCHEMBL29105725 | 0.71 | — | — | |
| SCHEMBL27331253 | 0.71 | LMNA (0.30) | — | |
| Hydrochloric Acid SCHEMBL29181719 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL27736854 | 0.69 | EPHX1 (0.32) | — | |
| SCHEMBL692716 | 0.68 | — | — | |
| SCHEMBL1031528 | 0.67 | ALDH1A1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100593539-C | Malonamide derivatives blocking the activtiy of gamma-secretase | HOFFMANN LA ROCHE | 2010-03-10 | — | — | CN | claimed |
| CN-1875005-A | Malonamide derivatives blocking the activtiy of gamma-secretase | HOFFMANN LA ROCHE (CH) | 2006-12-06 | — | — | CN | claimed |
| CN-100593539-C | Malonamide derivatives blocking the activtiy of gamma-secretase | HOFFMANN LA ROCHE | 2010-03-10 | — | — | CN | disclosed |
| CN-1875005-A | Malonamide derivatives blocking the activtiy of gamma-secretase | HOFFMANN LA ROCHE (CH) | 2006-12-06 | — | — | CN | disclosed |