⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2039620 | 0.76 | — | — | |
| SCHEMBL27685180 | 0.76 | — | — | |
| SCHEMBL17472738 | 0.76 | — | — | |
| SCHEMBL27273938 | 0.73 | — | — | |
| SCHEMBL9419892 | 0.69 | — | — | |
| SCHEMBL9320067 | 0.67 | BRD4 (0.42) | — | |
| SCHEMBL17816397 | 0.67 | — | — | |
| Bromide SCHEMBL28038387 | 0.67 | — | — | |
| SCHEMBL7216267 | 0.67 | — | — | |
| Iodide SCHEMBL27298451 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240182490-A1 | BROMODOMAIN INHIBITORS | CELGENE QUANTICEL RESEARCH, INC. (US) | 2024-06-06 | — | — | US | disclosed |
| CN-112823159-B | Aromatic heterocyclic compounds with kinase inhibitory activity | 上海轶诺药业有限公司 | 2024-03-01 | — | — | CN | disclosed |
| US-20220315601-A1 | BROMODOMAIN INHIBITORS | CELGENE QUANTICEL RESEARCH, INC. (US) | 2022-10-06 | — | — | US | disclosed |
| US-9862732-B2 | Regioselective 1,2-dearomatization of functionalized azines by organolanthanide catalysts | NORTHWESTERN UNIVERSITY (US) | 2018-01-09 | — | — | US | disclosed |
| US-20160159825-A1 | Regioselective 1,2-Dearomatization of Functionalized Azines by Organolanthanide Catalysts | NATIONAL SCIENCE FOUNDATION | 2016-06-09 | — | — | US | disclosed |