⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9613652 | 0.90 | — | — | |
| SCHEMBL883741 | 0.90 | — | — | |
| SCHEMBL13464789 | 0.88 | — | — | |
| SCHEMBL9607915 | 0.87 | — | — | |
| SCHEMBL9607672 | 0.86 | — | — | |
| SCHEMBL13464007 | 0.85 | — | — | |
| SCHEMBL15692162 | 0.85 | — | — | |
| SCHEMBL18973396 | 0.83 | TLR4 (0.31) | — | |
| SCHEMBL17917635 | 0.80 | TRPA1 (0.32) | — | |
| SCHEMBL14867225 | 0.79 | CYP1A2 (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2598604-B1 | LIQUID CRYSTAL MEDIUM CONTAINING THIOPHENE DERIVATIVES | MERCK PATENT GMBH (DE) | 2015-11-25 | — | — | EP | disclosed |
| EP-2457975-A2 | Liquid-crystalline mixtures | Merck Patent GmbH (DE) | 2012-05-30 | — | — | EP | disclosed |
| EP-1646703-B1 | LIQUID-CRYSTAL MEDIUM CONTAINING MONOFLUOROTERPHENYL COMPOUNDS | MERCK PATENT GMBH (DE) | 2010-03-17 | — | — | EP | disclosed |
| EP-1302523-B1 | Liquid crystalline medium | MERCK PATENT GMBH (DE) | 2009-07-15 | — | — | EP | disclosed |
| EP-1746079-B1 | Fluorinated biphenyl compounds for use in liquid crystal compositions | MERCK PATENT GMBH (DE) | 2008-03-26 | — | — | EP | disclosed |