⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18515369 | 1.00 | — | — | |
| SCHEMBL6722342 | 0.81 | — | — | |
| SCHEMBL6722339 | 0.81 | — | — | |
| SCHEMBL1031922 | 0.80 | — | — | |
| SCHEMBL10280948 | 0.79 | GRIK1 (0.38) | — | |
| SCHEMBL4243839 | 0.78 | — | — | |
| SCHEMBL6721818 | 0.78 | — | — | |
| SCHEMBL4243836 | 0.78 | — | — | |
| SCHEMBL5314429 | 0.78 | — | — | |
| SCHEMBL5314427 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9676770-B2 | Histone demethylase inhibitors | CELGENE QUANTICEL RESEARCH, INC. (US) | 2017-06-13 | — | — | US | disclosed |