⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18310427 | 0.90 | — | — | |
| SCHEMBL18310488 | 0.88 | — | — | |
| SCHEMBL18310494 | 0.87 | CYP2C9 (0.37) | — | |
| SCHEMBL18310490 | 0.84 | — | — | |
| SCHEMBL19829095 | 0.84 | — | — | |
| SCHEMBL18310439 | 0.83 | KDM1A (0.38) | — | |
| SCHEMBL18310420 | 0.83 | CYP2C9 (0.39) | — | |
| SCHEMBL18310426 | 0.83 | FASN (0.35) | — | |
| SCHEMBL19829139 | 0.83 | — | — | |
| SCHEMBL18310568 | 0.83 | CYP2C9 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9951277-B2 | Liquid crystal compound having 1,1,3,3-tetrafluoroallyloxy group, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2018-04-24 | — | — | US | disclosed |
| US-20180030351-A1 | LIQUID CRYSTAL COMPOUND HAVING POLYFLUORO-2-BUTENOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2018-02-01 | — | — | US | disclosed |
| US-20160362605-A1 | LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2016-12-15 | — | — | US | disclosed |