⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12612290 | 0.75 | BRD4 (0.37) | — | |
| SCHEMBL17345852 | 0.61 | LMNA (0.37) | — | |
| SCHEMBL18124965 | 0.61 | — | — | |
| SCHEMBL14428798 | 0.58 | INMT (0.39) | — | |
| SCHEMBL21505052 | 0.58 | — | — | |
| SCHEMBL19217076 | 0.58 | KMT2A (0.32) | — | |
| SCHEMBL14467775 | 0.58 | — | — | |
| SCHEMBL21505049 | 0.56 | — | — | |
| SCHEMBL208037 | 0.56 | — | — | |
| SCHEMBL18183422 | 0.56 | INMT (0.38) | — |
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 |