⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19262005 | 1.00 | — | — | |
| SCHEMBL12684880 | 0.73 | — | — | |
| SCHEMBL25742995 | 0.69 | — | — | |
| SCHEMBL21791015 | 0.68 | — | — | |
| SCHEMBL24847107 | 0.67 | — | — | |
| SCHEMBL22169299 | 0.67 | — | — | |
| SCHEMBL20491447 | 0.67 | — | — | |
| SCHEMBL12450123 | 0.67 | — | — | |
| SCHEMBL805957 | 0.67 | — | — | |
| SCHEMBL19487311 | 0.67 | — | — |
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-2975029-A1 | 4,5-diarylimidazole derivatives as HDAC inhibitors | Charité - Universitätsmedizin Berlin (DE) | 2016-01-20 | — | — | EP | disclosed |