⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3795236 | 0.76 | — | — | |
| SCHEMBL20658834 | 0.65 | — | — | |
| SCHEMBL298091 | 0.64 | NOTUM (0.30) | — | |
| SCHEMBL297498 | 0.61 | — | — | |
| SCHEMBL4528512 | 0.59 | — | — | |
| SCHEMBL20550461 | 0.54 | CA1 (0.30) | — | |
| SCHEMBL3785748 | 0.53 | — | — | |
| SCHEMBL20604088 | 0.52 | — | — | |
| SCHEMBL22454756 | 0.52 | — | — | |
| SCHEMBL25299697 | 0.49 | S1PR2 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2427437-A1 | DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010128058-A1 | DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-11 | — | — | WO | disclosed |