⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22351861 | 0.74 | — | — | |
| SCHEMBL27257684 | 0.67 | — | — | |
| SCHEMBL26492373 | 0.62 | — | — | |
| SCHEMBL4121904 | 0.59 | — | — | |
| SCHEMBL7958917 | 0.58 | — | — | |
| SCHEMBL11599987 | 0.56 | — | — | |
| SCHEMBL22293756 | 0.54 | — | — | |
| SCHEMBL11676565 | 0.54 | — | — | |
| SCHEMBL25160446 | 0.53 | — | — | |
| SCHEMBL9651097 | 0.52 | KDM4E (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 |
|---|---|---|---|---|---|---|---|
| EP-3331864-B1 | 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP (KR) | 2021-11-03 | — | — | EP | disclosed |