⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4861014 | 0.76 | — | — | |
| SCHEMBL16520282 | 0.69 | GAA (0.40) | — | |
| SCHEMBL841006 | 0.67 | — | — | |
| SCHEMBL4861660 | 0.66 | GAA (0.34) | — | |
| SCHEMBL8359421 | 0.62 | — | — | |
| SCHEMBL10073514 | 0.62 | ALDH1A1 (0.35) | — | |
| SCHEMBL28635931 | 0.62 | — | — | |
| SCHEMBL13432449 | 0.60 | KDM4E (0.31) | — | |
| SCHEMBL9578188 | 0.60 | CYP1A2 (0.31) | — | |
| SCHEMBL18556802 | 0.60 | TNF (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008053446-A2 | BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2008-05-08 | — | — | WO | disclosed |