⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12386472 | 0.89 | — | — | |
| SCHEMBL14393110 | 0.88 | — | — | |
| SCHEMBL9921147 | 0.88 | — | — | |
| SCHEMBL12290239 | 0.88 | — | — | |
| SCHEMBL8236660 | 0.87 | — | — | |
| SCHEMBL13299297 | 0.85 | — | — | |
| SCHEMBL24390803 | 0.85 | — | — | |
| SCHEMBL24390786 | 0.85 | — | — | |
| SCHEMBL24800052 | 0.84 | — | — | |
| SCHEMBL12290238 | 0.84 | — | — |
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-2116522-A1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY | Chisso Corporation (JP) | 2009-11-11 | — | — | EP | disclosed |