⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4004737 | 0.79 | — | — | |
| SCHEMBL8645586 | 0.77 | — | — | |
| SCHEMBL28412580 | 0.76 | — | — | |
| SCHEMBL28395938 | 0.75 | CYP2D6 (0.33) | — | |
| SCHEMBL7226642 | 0.72 | — | — | |
| SCHEMBL11238323 | 0.72 | — | — | |
| SCHEMBL2021639 | 0.69 | — | — | |
| SCHEMBL8408706 | 0.68 | — | — | |
| SCHEMBL5888988 | 0.68 | — | — | |
| SCHEMBL15643346 | 0.68 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100029643-A1 | HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY | ASTRAZENECA AB (SE) | 2010-02-04 | — | — | US | disclosed |
| EP-1711184-B1 | (3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL-AMINO)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY | JANSSEN PHARMACEUTICA NV (BE) | 2007-07-18 | — | — | EP | disclosed |
| US-20050148586-A1 | Quinoxalinones | JANSSEN PHARMACEUTICA, N.V. (BE) | 2005-07-07 | — | — | US | disclosed |