⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15745194 | 0.98 | MAOB (0.32) | — | |
| SCHEMBL15744793 | 0.92 | MAOB (0.35) | — | |
| SCHEMBL13636656 | 0.91 | MAOB (0.32) | — | |
| SCHEMBL15744915 | 0.89 | MAOB (0.34) | — | |
| SCHEMBL15745163 | 0.88 | — | — | |
| SCHEMBL15745185 | 0.88 | — | — | |
| SCHEMBL15744360 | 0.87 | MAOB (0.34) | — | |
| SCHEMBL15745039 | 0.87 | KIF11 (0.36) | — | |
| SCHEMBL15744984 | 0.86 | RARB (0.33) | — | |
| SCHEMBL15744500 | 0.85 | RARB (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9365774-B2 | Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2016-06-14 | — | — | US | disclosed |
| US-9365774-B2 | Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2016-06-14 | — | — | US | disclosed |
| US-20140145113-A1 | LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2014-05-29 | — | — | US | disclosed |
| US-20140145113-A1 | LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2014-05-29 | — | — | US | disclosed |
| EP-2735599-A1 | Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device | JNC Corporation (JP) | 2014-05-28 | — | — | EP | disclosed |