⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16548044 | 1.00 | — | — | |
| SCHEMBL21983782 | 0.80 | — | — | |
| SCHEMBL10499893 | 0.79 | — | — | |
| SCHEMBL10499910 | 0.79 | — | — | |
| SCHEMBL6369258 | 0.70 | — | — | |
| SCHEMBL6369262 | 0.70 | — | — | |
| SCHEMBL10290605 | 0.67 | — | — | |
| SCHEMBL17674104 | 0.65 | SMN1; SMN2 (0.51) | — | |
| SCHEMBL17674106 | 0.65 | SMN1; SMN2 (0.51) | — | |
| SCHEMBL24766912 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9527834-B2 | Substituted 1-benzylquinoxalin-2(1H)-one analogs as positive allosteric modulators of muscarinic acetylcholine receptor M1 | VANDERBILT UNIVERSITY (US) | 2016-12-27 | — | — | US | disclosed |
| US-20160075690-A1 | SUBSTITUTED 1-BENZYLQUINOXALIN-2(1H) ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYLCHOLINE RECEPTOR M1 | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-03-17 | — | — | US | disclosed |