⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL10961591 | 0.96 | — | — | |
| Ether SCHEMBL27582247 | 0.86 | — | — | |
| Ether SCHEMBL8815823 | 0.86 | — | — | |
| Ether SCHEMBL6 | 0.85 | — | — | |
| Ether SCHEMBL21406 | 0.85 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL8160191 | 0.85 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL9248046 | 0.85 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL9248674 | 0.85 | ALDH1A1 (0.47) | — | |
| Ether SCHEMBL509660 | 0.82 | — | — | |
| Ether SCHEMBL10434482 | 0.82 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101578349-B | Liquid crystal compound containing sulfone group, liquid crystal composition comprising same, and optical film using same liquid crystal composition | LG CHEMICAL LTD | 2014-03-12 | — | — | CN | disclosed |
| CN-101578349-A | Novel liquid crystal compound containing sulfone group, liquid crystal composition comprising the same, and optical film using the same liquid crystal composition | LG CHEMICAL LTD (KR) | 2009-11-11 | — | — | CN | disclosed |
| WO-2008091090-A1 | NOVEL LIQUID CRYSTAL COMPOUND CONTAINING SULFONE GROUP, LIQUID CRYSTAL COMPOSITION COMPRISING THE SAME, AND OPTICAL FILM USING THE SAME LIQUID CRYSTAL COMPOSITION | LG CHEM, LTD. (KR) | 2008-07-31 | — | — | WO | disclosed |