⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13922575 | 0.84 | CNR2 (0.31) | — | |
| SCHEMBL11939141 | 0.79 | ESR2 (0.32) | — | |
| SCHEMBL13922569 | 0.77 | SPHK1 (0.39) | — | |
| SCHEMBL13937205 | 0.75 | ESR2 (0.34) | — | |
| SCHEMBL12511262 | 0.75 | SPHK1 (0.31) | — | |
| SCHEMBL13937787 | 0.73 | ESR2 (0.32) | — | |
| SCHEMBL12510960 | 0.72 | — | — | |
| SCHEMBL12511240 | 0.72 | — | — | |
| SCHEMBL13922695 | 0.72 | SPHK1 (0.32) | — | |
| SCHEMBL12511855 | 0.72 | ESR2 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |