⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11031979 | 0.73 | MITF (0.33) | — | |
| SCHEMBL2067640 | 0.71 | TRPA1 (0.44) | — | |
| SCHEMBL5796214 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL5862157 | 0.69 | — | — | |
| SCHEMBL5862219 | 0.69 | — | — | |
| SCHEMBL10714611 | 0.69 | ALOX15 (0.40) | — | |
| SCHEMBL4239372 | 0.67 | TRPA1 (0.47) | — | |
| SCHEMBL1457346 | 0.67 | — | — | |
| SCHEMBL7086976 | 0.67 | — | — | |
| SCHEMBL5862159 | 0.67 | — | — |
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-2456763-A1 | OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS | Novartis AG (CH) | 2012-05-30 | — | — | EP | disclosed |
| WO-2011009943-A1 | OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS | NOVARTIS AG (CH) | 2011-01-27 | — | — | WO | disclosed |