⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16258042 | 0.90 | FASN (0.33) | — | |
| SCHEMBL13419356 | 0.89 | — | — | |
| SCHEMBL12561362 | 0.88 | — | — | |
| SCHEMBL18960019 | 0.88 | — | — | |
| SCHEMBL10027430 | 0.86 | — | — | |
| SCHEMBL12357148 | 0.84 | FASN (0.32) | — | |
| SCHEMBL10260199 | 0.84 | FASN (0.32) | — | |
| SCHEMBL16258071 | 0.84 | — | — | |
| SCHEMBL7729434 | 0.83 | CYP2C9 (0.34) | — | |
| SCHEMBL7729441 | 0.83 | CYP2C9 (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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2351741-B1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING NITROGEN-CONTAINING HETEROCYCLIC RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORP (JP) | 2016-11-30 | — | — | EP | disclosed |
| US-8475888-B2 | Five-ring liquid crystal compound having a nitrogen-containing heterocyclic ring, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2013-07-02 | — | — | US | disclosed |
| US-8475888-B2 | Five-ring liquid crystal compound having a nitrogen-containing heterocyclic ring, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2013-07-02 | — | — | US | disclosed |
| US-20110193022-A1 | FIVE-RING LIQUID CRYSTAL COMPOUND HAVING A NITROGEN-CONTAINING HETEROCYCLIC RING, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2011-08-11 | — | — | US | disclosed |
| US-7951432-B2 | Five-ring liquid crystal compound having cyclohexane ring, liquid crystal composition, and liquid crystal display device | CHISSO CORPORATION (JP) | 2011-05-31 | — | — | US | disclosed |
| US-7951433-B2 | Five-ring liquid crystal compound having CF2O bonding group, liquid crystal composition, and liquid crystal display device | CHISSO CORPORATION (JP) | 2011-05-31 | — | — | US | disclosed |
| US-7951432-B2 | Five-ring liquid crystal compound having cyclohexane ring, liquid crystal composition, and liquid crystal display device | CHISSO CORPORATION (JP) | 2011-05-31 | — | — | US | disclosed |
| US-20100127211-A1 | FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CF20 BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2010-05-27 | — | — | US | disclosed |
| US-7674507-B2 | Pyran-dioxane derivatives, and the use thereof in liquid-crystalline media | MERCK PATENT GMBH (DE) | 2010-03-09 | — | — | US | disclosed |
| US-20090302273-A1 | FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2009-12-10 | — | — | US | disclosed |
| US-20090302273-A1 | FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2009-12-10 | — | — | US | disclosed |
| US-20080193682-A1 | Pyran-Dioxane Derivatives, and the Use Thereof in Liquid-Crystalline Media | MERCK PATENT GMBH (DE) | 2008-08-14 | — | — | US | disclosed |