⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18310579 | 0.92 | — | — | |
| SCHEMBL19829174 | 0.86 | — | — | |
| SCHEMBL17050117 | 0.85 | — | — | |
| SCHEMBL18315025 | 0.84 | — | — | |
| SCHEMBL15460830 | 0.84 | — | — | |
| SCHEMBL19829175 | 0.82 | ALOX5AP (0.32) | — | |
| SCHEMBL12625321 | 0.81 | GRM2 (0.32) | — | |
| SCHEMBL19829215 | 0.80 | — | — | |
| SCHEMBL12625880 | 0.80 | ALOX5AP (0.34) | — | |
| SCHEMBL12624117 | 0.80 | ALOX5AP (0.34) | — |
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-3135659-A1 | LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC Corporation (JP) | 2017-03-01 | — | — | EP | disclosed |