⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1022 | 0.94 | — | — | |
| Ethane SCHEMBL27752512 | 0.88 | — | — | |
| Iodide SCHEMBL28145402 | 0.88 | — | — | |
| Benzene SCHEMBL27452082 | 0.78 | KDM4E (0.46) | — | |
| Butane SCHEMBL27715350 | 0.75 | — | — | |
| Dimethyl Sulfone SCHEMBL19382 | 0.72 | — | — | |
| Dimethyl Sulfone SCHEMBL169867 | 0.72 | KDM4E (1.00) | — | |
| SCHEMBL28860022 | 0.71 | KDM4E (0.39) | — | |
| SCHEMBL587726 | 0.71 | KDM4E (0.50) | — | |
| SCHEMBL28650936 | 0.71 | KDM4E (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104245663-B | Bicyclic compounds | 东亚荣养株式会社 | 2016-10-26 | — | — | CN | disclosed |