⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15744927 | 0.94 | — | — | |
| SCHEMBL15744509 | 0.94 | — | — | |
| SCHEMBL15744923 | 0.93 | — | — | |
| SCHEMBL15745144 | 0.92 | — | — | |
| SCHEMBL15744971 | 0.92 | — | — | |
| SCHEMBL15744805 | 0.92 | — | — | |
| SCHEMBL15744520 | 0.90 | — | — | |
| SCHEMBL15744970 | 0.89 | — | — | |
| SCHEMBL15745049 | 0.89 | GRM2 (0.33) | — | |
| SCHEMBL15744586 | 0.89 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2735599-A1 | Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device | JNC Corporation (JP) | 2014-05-28 | — | — | EP | disclosed |