⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13922659 | 1.00 | — | — | |
| SCHEMBL12511256 | 1.00 | — | — | |
| SCHEMBL8968467 | 0.96 | — | — | |
| SCHEMBL12511876 | 0.93 | — | — | |
| SCHEMBL13378766 | 0.92 | — | — | |
| SCHEMBL13922662 | 0.92 | PTGES (0.32) | — | |
| SCHEMBL13378744 | 0.92 | — | — | |
| SCHEMBL13378700 | 0.92 | — | — | |
| SCHEMBL12511720 | 0.92 | — | — | |
| SCHEMBL13922540 | 0.92 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1903090-B1 | Cyclohexene derivative having alkenyl, liquid crystal composition and liquid crystal display device | JNC CORP (JP) | 2011-07-27 | — | — | EP | disclosed |
| US-7510749-B2 | Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time | CHISSO CORPORATION (JP) | 2009-03-31 | — | — | US | disclosed |
| EP-1903090-A2 | Cyclohexene derivative having alkenyl, liquid crystal composition and liquid crystal display device | Chisso Corporation (JP) | 2008-03-26 | — | — | EP | disclosed |
| US-20080063814-A1 | Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time | CHISSO CORPORATION | 2008-03-13 | — | — | US | disclosed |