⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9613628 | 0.87 | — | — | |
| SCHEMBL14255074 | 0.84 | — | — | |
| SCHEMBL14255112 | 0.81 | — | — | |
| SCHEMBL14255040 | 0.78 | — | — | |
| SCHEMBL13785306 | 0.78 | — | — | |
| SCHEMBL14255057 | 0.75 | — | — | |
| SCHEMBL14255102 | 0.75 | — | — | |
| SCHEMBL14255107 | 0.75 | — | — | |
| SCHEMBL14255069 | 0.72 | — | — | |
| SCHEMBL14640871 | 0.71 | — | — |
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-1746079-B1 | Fluorinated biphenyl compounds for use in liquid crystal compositions | MERCK PATENT GMBH (DE) | 2008-03-26 | — | — | 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 |