⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21654438 | 0.92 | APP (0.31) | — | |
| SCHEMBL25695588 | 0.75 | GPR3 (0.31) | — | |
| SCHEMBL21654366 | 0.72 | BACE1 (0.41) | — | |
| SCHEMBL21654309 | 0.71 | BACE1 (0.42) | — | |
| SCHEMBL21654447 | 0.70 | — | — | |
| SCHEMBL19564567 | 0.68 | — | — | |
| SCHEMBL21654448 | 0.67 | HTR2A (0.42) | — | |
| SCHEMBL31485561 | 0.67 | — | — | |
| SCHEMBL25859346 | 0.67 | — | — | |
| SCHEMBL15188926 | 0.67 | KDM1A (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3176172-A1 | SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS | Astrazeneca AB (SE) | 2017-06-07 | — | — | EP | disclosed |