⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14537520 | 0.76 | — | — | |
| SCHEMBL13316212 | 0.74 | — | — | |
| SCHEMBL832277 | 0.74 | — | — | |
| SCHEMBL12854174 | 0.74 | LMNA (0.39) | — | |
| SCHEMBL4304897 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL2263006 | 0.73 | APLNR (0.32) | — | |
| SCHEMBL1164326 | 0.73 | APLNR (0.32) | — | |
| SCHEMBL3580301 | 0.72 | ALDH1A1 (0.48) | — | |
| SCHEMBL3580305 | 0.72 | APP (0.44) | — | |
| SCHEMBL21550208 | 0.70 | TRPA1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2118076-B1 | QUINOXALINE COMPOUNDS AND USE THEREOF | MERCK SERONO SA (CH) | 2019-09-04 | — | — | EP | disclosed |
| US-8614215-B2 | Quinoxaline inhibitors of phosphoinositide-3-kinases (PI3Ks) | MERCK SERONO SA (CH) | 2013-12-24 | — | — | US | disclosed |
| US-20100137308-A1 | Quinoxaline Compounds and Use Thereof | MERCK SERONO SA (CH) | 2010-06-03 | — | — | US | disclosed |
| EP-2118076-A1 | QUINOXALINE COMPOUNDS AND USE THEREOF | Merck Serono S.A. (CH) | 2009-11-18 | — | — | EP | disclosed |
| WO-2008101979-A1 | QUINOXALINE COMPOUNDS AND USE THEREOF | MERCK SERONO S.A. (CH) | 2008-08-28 | — | — | WO | disclosed |