⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21358307 | 0.78 | — | — | |
| SCHEMBL22647470 | 0.77 | — | — | |
| SCHEMBL14921031 | 0.73 | GRM5 (0.37) | — | |
| SCHEMBL24629422 | 0.71 | USP2 (0.34) | — | |
| SCHEMBL30552702 | 0.71 | HDAC3 (0.37) | — | |
| SCHEMBL14151578 | 0.71 | NAMPT (0.35) | — | |
| SCHEMBL29622544 | 0.71 | GRM5 (0.44) | — | |
| SCHEMBL22685885 | 0.68 | HDAC1 (0.39) | — | |
| SCHEMBL17101974 | 0.68 | CYP2D6 (0.41) | — | |
| SCHEMBL15987020 | 0.68 | ALOX15 (0.31) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11192899-B2 | Quinoxaline derivatives as adenosine receptor antagonists | MERCK PATENT GMBH (DE) | 2021-12-07 | — | — | US | claimed |
| EP-3672951-A1 | QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | Merck Patent GmbH (DE) | 2020-07-01 | — | — | EP | claimed |
| WO-2019038214-A1 | QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2019-02-28 | — | — | WO | claimed |
| US-11192899-B2 | Quinoxaline derivatives as adenosine receptor antagonists | MERCK PATENT GMBH (DE) | 2021-12-07 | — | — | US | disclosed |
| US-20200354375-A1 | QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2020-11-12 | — | — | US | disclosed |
| EP-3672951-A1 | QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | Merck Patent GmbH (DE) | 2020-07-01 | — | — | EP | disclosed |
| WO-2019038214-A1 | QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2019-02-28 | — | — | WO | disclosed |