⚠ 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 | |
|---|---|---|---|---|
| Chloromethane SCHEMBL29225343 | 0.88 | — | — | |
| Ethane SCHEMBL23783458 | 0.86 | — | — | |
| Chloromethane SCHEMBL10458728 | 0.84 | — | — | |
| SCHEMBL173591 | 0.84 | — | — | |
| SCHEMBL17943 | 0.84 | — | — | |
| SCHEMBL811742 | 0.80 | — | — | |
| Carbon Tetrachloride SCHEMBL27447848 | 0.80 | — | — | |
| SCHEMBL7699149 | 0.80 | — | — | |
| Charcoal, Activated SCHEMBL5349148 | 0.77 | — | — | |
| SCHEMBL7655670 | 0.77 | — | — |
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 |