⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8262022 | 0.83 | SETD7 (0.31) | — | |
| SCHEMBL14654604 | 0.77 | — | — | |
| SCHEMBL12443533 | 0.73 | — | — | |
| SCHEMBL14652790 | 0.70 | — | — | |
| SCHEMBL14652656 | 0.59 | — | — | |
| SCHEMBL12976024 | 0.56 | — | — | |
| SCHEMBL21537911 | 0.52 | MAOA (0.33) | — | |
| SCHEMBL12705960 | 0.52 | DRD2 (0.54) | — | |
| SCHEMBL272823 | 0.52 | — | — | |
| SCHEMBL19089255 | 0.52 | — | — |
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-2006088949-A1 | FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE | MIIKANA THERAPEUTICS, INC. (US) | 2006-08-24 | — | — | WO | disclosed |