⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20634793 | 0.62 | HDAC6 (0.43) | — | |
| SCHEMBL20635520 | 0.55 | HDAC6 (0.47) | — | |
| SCHEMBL13853399 | 0.53 | L3MBTL1 (0.61) | — | |
| SCHEMBL2359974 | 0.51 | HRH3 (0.67) | — | |
| SCHEMBL470384 | 0.51 | HRH3 (0.59) | — | |
| SCHEMBL3694234 | 0.51 | HRH3 (0.65) | — | |
| SCHEMBL6057433 | 0.50 | HRH3 (0.69) | — | |
| SCHEMBL27990811 | 0.50 | HRH3 (0.52) | — | |
| SCHEMBL377846 | 0.50 | HRH3 (0.52) | — | |
| SCHEMBL3717999 | 0.50 | HRH3 (0.69) | — |
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-2019007836-A1 | NOVEL HDAC6 INHIBITORS, WITH IMPROVED SOLUBILITY AND THEIR USES | UNIVERSITÄT REGENSBURG (DE) | 2019-01-10 | — | — | WO | disclosed |