⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21097017 | 0.78 | — | — | |
| SCHEMBL606948 | 0.73 | — | — | |
| SCHEMBL9834752 | 0.69 | — | — | |
| SCHEMBL28454671 | 0.67 | — | — | |
| SCHEMBL23735488 | 0.65 | KDM4E (0.44) | — | |
| SCHEMBL422997 | 0.65 | — | — | |
| SCHEMBL8065012 | 0.62 | — | — | |
| SCHEMBL5179006 | 0.62 | — | — | |
| SCHEMBL16264306 | 0.62 | — | — | |
| SCHEMBL4962666 | 0.62 | — | — |
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-2017208032-A1 | COMBINATIONS COMPRISING HISTONE DEACETYLASE INHIBITORS | KARUS THERAPEUTICS LTD (GB) | 2017-12-07 | — | — | WO | disclosed |