⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17620765 | 0.89 | — | — | |
| SCHEMBL17620879 | 0.87 | — | — | |
| SCHEMBL17620770 | 0.86 | — | — | |
| SCHEMBL17620775 | 0.80 | — | — | |
| SCHEMBL12566107 | 0.79 | — | — | |
| SCHEMBL17620925 | 0.78 | — | — | |
| SCHEMBL17620878 | 0.78 | — | — | |
| SCHEMBL15062115 | 0.78 | — | — | |
| SCHEMBL17620877 | 0.78 | — | — | |
| SCHEMBL24042247 | 0.78 | ALDH1A1 (0.31) | — |
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-9580652-B2 | Liquid crystal compound, liquid crystal composition including the same and liquid crystal display including the liquid crystal composition | SAMSUNG DISPLAY CO., LTD. (KR) | 2017-02-28 | — | — | US | disclosed |
| US-20160083653-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME AND LIQUID CRYSTAL DISPLAY INCLUDING THE LIQUID CRYSTAL COMPOSITION | SAMSUNG DISPLAY CO., LTD. (KR) | 2016-03-24 | — | — | US | disclosed |