⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13465028 | 0.87 | — | — | |
| SCHEMBL13464008 | 0.87 | — | — | |
| SCHEMBL13604971 | 0.84 | — | — | |
| SCHEMBL14396547 | 0.79 | — | — | |
| SCHEMBL14342235 | 0.79 | — | — | |
| SCHEMBL13465003 | 0.77 | — | — | |
| SCHEMBL14255167 | 0.76 | — | — | |
| SCHEMBL13901001 | 0.76 | — | — | |
| SCHEMBL14255040 | 0.76 | — | — | |
| SCHEMBL13785306 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1436358-B1 | LIQUID CRYSTAL COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-12-19 | — | — | EP | disclosed |
| EP-1746079-A2 | Fluorinated biphenyl compounds for use in liquid crystal compositions | Merck Patent GmbH (DE) | 2007-01-24 | — | — | EP | disclosed |
| EP-1310474-B1 | Fluorinated biphenyl compounds and their use in liquid crystal compositions | MERCK PATENT GMBH (DE) | 2007-01-03 | — | — | EP | disclosed |