⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2224366 | 0.84 | CCR1 (0.39) | — | |
| SCHEMBL28210137 | 0.75 | — | — | |
| SCHEMBL739153 | 0.70 | — | — | |
| SCHEMBL28212973 | 0.70 | MEN1 (0.44) | — | |
| SCHEMBL15110954 | 0.65 | TRPV4 (0.39) | — | |
| SCHEMBL30954340 | 0.64 | KDM4E (0.44) | — | |
| SCHEMBL16598220 | 0.64 | KDM4E (0.44) | — | |
| SCHEMBL1495307 | 0.63 | — | — | |
| SCHEMBL2718770 | 0.63 | CYP11B1 (0.51) | — | |
| Hydrochloric Acid SCHEMBL7428212 | 0.63 | KDM4E (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107922362-A | 1,3, 4-oxadiazole sulfonamide derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions containing the same | 株式会社钟根堂 | 2018-04-17 | — | — | CN | disclosed |