⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16234551 | 0.75 | — | — | |
| SCHEMBL18880307 | 0.67 | — | — | |
| SCHEMBL14684777 | 0.67 | — | — | |
| SCHEMBL13270994 | 0.64 | — | — | |
| SCHEMBL12441619 | 0.64 | — | — | |
| SCHEMBL21184293 | 0.62 | — | — | |
| SCHEMBL20161822 | 0.61 | — | — | |
| SCHEMBL8268469 | 0.61 | — | — | |
| SCHEMBL8882654 | 0.61 | — | — | |
| SCHEMBL24923406 | 0.61 | — | — |
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-3294715-B1 | BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY | KANCERA AB (SE) | 2020-05-06 | — | — | EP | disclosed |