⚠ 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 | |
|---|---|---|---|---|
| Methylene Chloride SCHEMBL28160336 | 0.78 | — | — | |
| SCHEMBL173591 | 0.71 | — | — | |
| SCHEMBL17943 | 0.71 | — | — | |
| SCHEMBL7754421 | 0.70 | — | — | |
| SCHEMBL1027213 | 0.70 | — | — | |
| SCHEMBL21683047 | 0.70 | — | — | |
| SCHEMBL123677 | 0.67 | — | — | |
| SCHEMBL4701234 | 0.67 | — | — | |
| SCHEMBL28750012 | 0.67 | — | — | |
| SCHEMBL14606521 | 0.67 | — | — |
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-112312916-A | Preparation of condensed triazepine derivatives and their use as BET inhibitors | 戴布里股份公司 | 2021-02-02 | — | — | CN | disclosed |