⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14139516 | 1.00 | — | — | |
| SCHEMBL14139250 | 1.00 | — | — | |
| SCHEMBL29253076 | 0.84 | — | — | |
| SCHEMBL4427911 | 0.81 | — | — | |
| SCHEMBL19582736 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL29186809 | 0.78 | ALDH1A1 (0.47) | — | |
| Trifluoroacetic Acid SCHEMBL6886597 | 0.77 | ALDH1A1 (0.40) | — | |
| Pivalamide SCHEMBL20298195 | 0.77 | ALDH1A1 (0.40) | — | |
| Trifluoroacetic Acid SCHEMBL2392878 | 0.74 | NOS1 (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL30684471 | 0.74 | ALDH1A1 (0.53) | — |
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-2007110335-A1 | MALONAMIDE DERIVATIVES AS GAMMA SECRETASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-04 | — | — | WO | disclosed |