⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5597259 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL21976454 | 0.70 | — | — | |
| SCHEMBL20617865 | 0.62 | — | — | |
| SCHEMBL21374674 | 0.60 | — | — | |
| SCHEMBL19872693 | 0.60 | ALDH1A1 (0.31) | — | |
| SCHEMBL14285821 | 0.60 | CHRM2 (0.33) | — | |
| SCHEMBL21742815 | 0.59 | ALDH1A1 (0.38) | — | |
| SCHEMBL15262249 | 0.58 | — | — | |
| SCHEMBL23845068 | 0.58 | — | — | |
| SCHEMBL20850742 | 0.58 | — | — |
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 |