⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25405952 | 0.80 | DPP4 (0.37) | — | |
| SCHEMBL4365770 | 0.76 | — | — | |
| SCHEMBL552298 | 0.76 | — | — | |
| SCHEMBL14738699 | 0.71 | — | — | |
| SCHEMBL13324943 | 0.69 | ITGB1 (0.32) | — | |
| SCHEMBL8801482 | 0.60 | — | — | |
| SCHEMBL826193 | 0.56 | — | — | |
| SCHEMBL302275 | 0.56 | — | — | |
| SCHEMBL25395345 | 0.55 | — | — | |
| SCHEMBL983744 | 0.51 | — | — |
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-20110190351-A1 | Benzoimidazole Derivatives and Glycogen Synthase Kinase-3 Beta Inhibitors Containing the Same | ONCOTHERAPY SCIENCE, INC. (JP) | 2011-08-04 | — | — | US | disclosed |
| EP-2309855-A1 | BENZOIMIDAZOLE DERIVATIVES AND GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING THE SAME | Oncotherapy Science, Inc. (JP) | 2011-04-20 | — | — | EP | disclosed |
| WO-2010014794-A1 | BENZOIMIDAZOLE DERIVATIVES AND GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2010-02-04 | — | — | WO | disclosed |