⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11954073 | 0.66 | — | — | |
| SCHEMBL20115662 | 0.65 | — | — | |
| SCHEMBL662847 | 0.62 | — | — | |
| SCHEMBL16858861 | 0.62 | — | — | |
| SCHEMBL3144398 | 0.62 | — | — | |
| SCHEMBL20403396 | 0.60 | — | — | |
| SCHEMBL30146940 | 0.58 | MEN1 (0.44) | — | |
| SCHEMBL16855065 | 0.55 | — | — | |
| SCHEMBL5427065 | 0.55 | — | — | |
| SCHEMBL21585765 | 0.54 | — | — |
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-2686307-A1 | 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-01-22 | — | — | EP | disclosed |
| WO-2012126791-A1 | 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-27 | — | — | WO | disclosed |