⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13622831 | 0.94 | MGLL (0.30) | — | |
| SCHEMBL13622829 | 0.89 | MGLL (0.35) | — | |
| SCHEMBL13622828 | 0.88 | MGLL (0.34) | — | |
| SCHEMBL13622830 | 0.88 | MGLL (0.34) | — | |
| SCHEMBL13622848 | 0.82 | — | — | |
| SCHEMBL13622827 | 0.81 | MGLL (0.39) | — | |
| SCHEMBL13622855 | 0.77 | MAPK1 (0.40) | — | |
| SCHEMBL13622846 | 0.75 | THRB (0.30) | — | |
| SCHEMBL13622856 | 0.74 | MAPK1 (0.35) | — | |
| SCHEMBL13622842 | 0.69 | THRB (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090286001-A1 | ACTIVE-ENERGY RADIATION-POLYMERIZABLE SUBSTANCE, ACTIVE-ENERGY RADIATION-CURABLE LIQUID COMPOSITION, ACTIVE-ENERGY RADIATION-CURABLE INK, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT, AND INK JET RECORDING APPARATUS | CANON KABUSHIKI KAISHA (JP) | 2009-11-19 | — | — | US | disclosed |