⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1703354 | 1.00 | — | — | |
| SCHEMBL5283054 | 0.78 | FUCA1 (0.36) | — | |
| SCHEMBL13361803 | 0.74 | — | — | |
| SCHEMBL1703356 | 0.73 | — | — | |
| SCHEMBL6804712 | 0.72 | — | — | |
| SCHEMBL268810 | 0.72 | — | — | |
| SCHEMBL10304054 | 0.70 | — | — | |
| SCHEMBL17771870 | 0.69 | — | — | |
| SCHEMBL12640459 | 0.69 | — | — | |
| SCHEMBL13282251 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109153646-A | Pyridine dicarboxamide derivatives as bromine structural domain inhibitor | 葛兰素史克知识产权第二有限公司 | 2019-01-04 | — | — | CN | disclosed |
| CN-108884083-A | Benzo [ B ] furans as bromodomain inhibitors | 葛兰素史克知识产权第二有限公司 | 2018-11-23 | — | — | CN | disclosed |