⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18746592 | 1.00 | — | — | |
| SCHEMBL18746992 | 0.95 | — | — | |
| SCHEMBL18747863 | 0.93 | FFAR1 (0.32) | — | |
| SCHEMBL18747215 | 0.93 | FFAR1 (0.32) | — | |
| SCHEMBL18747934 | 0.92 | — | — | |
| SCHEMBL18747770 | 0.92 | FFAR1 (0.32) | — | |
| SCHEMBL18746790 | 0.92 | FFAR1 (0.32) | — | |
| SCHEMBL18746560 | 0.91 | — | — | |
| SCHEMBL18746649 | 0.90 | KIF11 (0.33) | — | |
| SCHEMBL18747313 | 0.90 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9879183-B2 | Liquid crystal compound having CF2O bonding group and tolan skeleton, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2018-01-30 | — | — | US | disclosed |
| US-20170107427-A1 | LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLAN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2017-04-20 | — | — | US | disclosed |
| US-20170107427-A1 | LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLAN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2017-04-20 | — | — | US | disclosed |
| EP-3156388-A1 | LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLANE BACKBONE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC Corporation (JP) | 2017-04-19 | — | — | EP | disclosed |