⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6660764 | 0.93 | — | — | |
| SCHEMBL6663374 | 0.91 | GAA (0.30) | — | |
| SCHEMBL17997299 | 0.87 | GAA (0.33) | — | |
| SCHEMBL12734860 | 0.86 | GAA (0.32) | — | |
| SCHEMBL12739665 | 0.86 | GAA (0.32) | — | |
| SCHEMBL6667076 | 0.84 | CYP2C9 (0.30) | — | |
| SCHEMBL7728045 | 0.83 | MAPT (0.36) | — | |
| SCHEMBL1574929 | 0.83 | MAPT (0.36) | — | |
| SCHEMBL3269906 | 0.83 | MAPT (0.36) | — | |
| SCHEMBL7728041 | 0.83 | MAPT (0.36) | — |
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-0893423-B1 | LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES | CHISSO CORP (JP) | 2004-09-01 | — | — | EP | disclosed |