⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17050088 | 0.91 | ALOX5AP (0.32) | — | |
| SCHEMBL19829229 | 0.89 | S1PR1 (0.31) | — | |
| SCHEMBL18315143 | 0.87 | — | — | |
| SCHEMBL765344 | 0.85 | GRM2 (0.35) | — | |
| SCHEMBL12625699 | 0.85 | RARB (0.40) | — | |
| SCHEMBL20118150 | 0.83 | GRM2 (0.36) | — | |
| SCHEMBL13033566 | 0.83 | CNR2 (0.32) | — | |
| SCHEMBL19829164 | 0.83 | — | — | |
| SCHEMBL17050148 | 0.83 | RARB (0.37) | — | |
| SCHEMBL12624946 | 0.83 | RARB (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015129540-A1 | LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC株式会社 | 2015-09-03 | — | — | WO | disclosed |