⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12273629 | 0.75 | KCNN4 (0.36) | — | |
| SCHEMBL12450813 | 0.71 | CYP3A4 (0.30) | — | |
| SCHEMBL12450817 | 0.68 | PTPN7 (0.30) | — | |
| SCHEMBL27901491 | 0.64 | KCNN4 (0.44) | — | |
| SCHEMBL21058252 | 0.64 | KCNN4 (0.38) | — | |
| SCHEMBL27321412 | 0.63 | ACHE (0.37) | — | |
| SCHEMBL12478801 | 0.63 | TACR1 (0.30) | — | |
| SCHEMBL12478800 | 0.63 | TACR1 (0.30) | — | |
| SCHEMBL14165902 | 0.61 | KCNN4 (0.37) | — | |
| SCHEMBL15524860 | 0.61 | KCNN4 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8748418-B2 | 1,4-oxazepines as BACE1 and/or BACE2 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2014-06-10 | — | — | US | disclosed |
| US-20120238548-A1 | 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-20 | — | — | US | disclosed |