⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17827795 | 0.94 | — | — | |
| SCHEMBL25574080 | 0.91 | — | — | |
| SCHEMBL18559041 | 0.89 | — | — | |
| SCHEMBL16546336 | 0.89 | — | — | |
| SCHEMBL16546370 | 0.89 | — | — | |
| SCHEMBL2741530 | 0.88 | — | — | |
| SCHEMBL18486756 | 0.88 | — | — | |
| SCHEMBL18855052 | 0.88 | — | — | |
| SCHEMBL16258053 | 0.85 | — | — | |
| SCHEMBL20083504 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2792728-B1 | LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT, AND LIQUID CRYSTAL DISPLAY | DAINIPPON INK & CHEMICALS (JP) | 2018-03-28 | — | — | EP | disclosed |