⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9924829 | 1.00 | — | — | |
| SCHEMBL9924986 | 0.97 | TLR4 (0.32) | — | |
| SCHEMBL9925158 | 0.96 | CTSL (0.33) | — | |
| SCHEMBL9924780 | 0.96 | TLR4 (0.31) | — | |
| SCHEMBL9924895 | 0.96 | TLR4 (0.31) | — | |
| SCHEMBL9924764 | 0.96 | SCN9A (0.30) | — | |
| SCHEMBL9925125 | 0.92 | CTSL (0.33) | — | |
| SCHEMBL9924883 | 0.92 | CTSL (0.34) | — | |
| SCHEMBL9925055 | 0.89 | HTR2A (0.30) | — | |
| SCHEMBL9924828 | 0.89 | HTR2A (0.30) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2468707-B1 | DECAHYDRONAPHTHALENE COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY DEVICES CONTAINING THE LIQUID CRYSTAL COMPOSITIONS | JNC CORP (JP) | 2017-08-02 | — | — | EP | disclosed |
| US-8465674-B2 | Decahydronaphthalene compound, liquid crystal composition including the compound and liquid crystal display device containing the liquid crystal composition | JNC CORPORATION (JP) | 2013-06-18 | — | — | US | disclosed |
| US-8465674-B2 | Decahydronaphthalene compound, liquid crystal composition including the compound and liquid crystal display device containing the liquid crystal composition | JNC CORPORATION (JP) | 2013-06-18 | — | — | US | disclosed |
| EP-2468707-A1 | DECAHYDRONAPHTHALENE COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY ELEMENTS CONTAINING THE LIQUID CRYSTAL COMPOSITIONS | JNC Corporation (JP) | 2012-06-27 | — | — | EP | disclosed |
| US-20120145959-A1 | DECAHYDRONAPHTHALENE COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE COMPOUND AND LIQUID CRYSTAL DISPLAY DEVICE CONTAINING THE LIQUID CRYSTAL COMPOSITION | JNC PETROCHEMICAL CORPORATION (JP) | 2012-06-14 | — | — | US | disclosed |
| US-20120145959-A1 | DECAHYDRONAPHTHALENE COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE COMPOUND AND LIQUID CRYSTAL DISPLAY DEVICE CONTAINING THE LIQUID CRYSTAL COMPOSITION | JNC PETROCHEMICAL CORPORATION (JP) | 2012-06-14 | — | — | US | disclosed |