⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2042187 | 0.73 | — | — | |
| SCHEMBL196535 | 0.71 | — | — | |
| SCHEMBL16316 | 0.70 | MAP4K4 (0.34) | — | |
| SCHEMBL3936146 | 0.68 | — | — | |
| SCHEMBL207799 | 0.68 | — | — | |
| SCHEMBL275567 | 0.68 | ALDH1A1 (0.46) | — | |
| SCHEMBL3627798 | 0.67 | — | — | |
| SCHEMBL3626662 | 0.67 | — | — | |
| SCHEMBL448776 | 0.67 | — | — | |
| SCHEMBL455076 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6884477-B1 | Electroluminescence device using liquid crystal compound | CANON KABUSHIKI KAISHA (JP) | 2005-04-26 | — | — | US | claimed |
| US-8940375-B2 | Liquid-crystal display | MERCK PATENT GMBH (DE) | 2015-01-27 | — | — | US | disclosed |
| US-20100188618-A1 | LIQUID-CRYSTAL DISPLAY | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 2010-07-29 | — | — | US | disclosed |
| WO-2009015744-A1 | LIQUID CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2009-02-05 | — | — | WO | disclosed |
| US-6884477-B1 | Electroluminescence device using liquid crystal compound | CANON KABUSHIKI KAISHA (JP) | 2005-04-26 | — | — | US | disclosed |