⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10477887 | 0.73 | — | — | |
| SCHEMBL23084 | 0.71 | — | — | |
| SCHEMBL6473918 | 0.71 | — | — | |
| SCHEMBL23083 | 0.71 | — | — | |
| SCHEMBL1325417 | 0.71 | — | — | |
| SCHEMBL1325430 | 0.71 | — | — | |
| SCHEMBL6479837 | 0.71 | — | — | |
| SCHEMBL8568123 | 0.68 | TSHR (0.37) | — | |
| SCHEMBL8568120 | 0.68 | TSHR (0.37) | — | |
| SCHEMBL28411577 | 0.68 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6458433-B1 | ISOTOPE REPLACEMENT; OPTICAL DISPLAY | CHISSO CORPORATION (JP) | 2002-10-01 | — | — | US | disclosed |
| US-20020038858-A1 | Isotope replacement; optical display | JNC CORPORATION (JP) | 2002-04-04 | — | — | US | disclosed |
| US-6174459-B1 | HAVING BUTYLENE GROUP AND/OR A PROPYLENEOXY GROUP AND A 3,4-DIFLUOROPHENYL GROUP AND WHICH CAN EXPRESS SOME PHYSICAL PROPERTIES SUITABLE AS A LIQUID CRYSTAL DISPLAY MATERIAL | CHISSO CORPORATION (JP) | 2001-01-16 | — | — | US | disclosed |
| EP-1013649-A1 | Liquid crystal compounds incorporating furan ring, liquid crystal composition and liquid crystal display device | CHISSO CORPORATION (JP) | 2000-06-28 | — | — | EP | disclosed |
| EP-0949232-A1 | DIFLUOROPHENYL DERIVATIVES, LIQUID-CRYSTAL COMPOUNDS, AND LIQUID-CRYSTAL COMPOSITION | CHISSO CORPORATION (JP) | 1999-10-13 | — | — | EP | disclosed |
| EP-0922021-A1 | DIFLUOROPHENYL DERIVATIVE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 1999-06-16 | — | — | EP | disclosed |
| WO-1998007674-A1 | DIFLUOROPHENYL DERIVATIVE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 1998-02-26 | — | — | WO | disclosed |