⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31645160 | 1.00 | — | — | |
| SCHEMBL18975039 | 1.00 | — | — | |
| SCHEMBL20234918 | 1.00 | — | — | |
| SCHEMBL13866309 | 1.00 | — | — | |
| SCHEMBL31644658 | 0.85 | ESR2 (0.38) | — | |
| SCHEMBL17953603 | 0.85 | ESR2 (0.38) | — | |
| SCHEMBL5868464 | 0.85 | ESR2 (0.38) | — | |
| SCHEMBL31645032 | 0.85 | ESR2 (0.38) | — | |
| SCHEMBL25025914 | 0.83 | ESR2 (0.43) | — | |
| SCHEMBL103167 | 0.83 | ESR2 (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090137597-A1 | Novel quinoxalinone derivatives | MSD K.K. (JP) | 2009-05-28 | — | — | US | disclosed |
| US-7388010-B2 | Quinoxalinone derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2008-06-17 | — | — | US | disclosed |
| US-20060019959-A1 | Novel quinoxalinone derivatives | BANYU PHARMACEUTICAL CO., LTD. TSUKUBA RESEARCH INSTITUTE (JP) | 2006-01-26 | — | — | US | disclosed |
| EP-1557418-A1 | NOVEL QUINOXALINE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2005-07-27 | — | — | EP | disclosed |