⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL18742474 | 0.98 | — | — | |
| SCHEMBL6904575 | 0.90 | HTR5A (0.34) | — | |
| SCHEMBL23660728 | 0.80 | HTR2C (0.42) | — | |
| SCHEMBL18769601 | 0.79 | HDAC4 (0.47) | — | |
| SCHEMBL11972017 | 0.77 | HDAC4 (0.44) | — | |
| Hydrochloric Acid SCHEMBL18742657 | 0.77 | HDAC4 (0.46) | — | |
| Hydrochloric Acid SCHEMBL18742533 | 0.76 | HDAC4 (0.43) | — | |
| Hydrochloric Acid SCHEMBL29857663 | 0.76 | HDAC4 (0.43) | — | |
| SCHEMBL31159059 | 0.76 | HTR5A (0.33) | — | |
| SCHEMBL2776265 | 0.73 | HDAC4 (0.49) | — |
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-3362445-B1 | OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP (KR) | 2023-01-25 | — | — | EP | disclosed |
| WO-2017065473-A1 | OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP. (KR) | 2017-04-20 | — | — | WO | disclosed |