⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9899912 | 1.00 | — | — | |
| SCHEMBL19160623 | 1.00 | — | — | |
| SCHEMBL9899909 | 1.00 | — | — | |
| SCHEMBL19160887 | 0.97 | — | — | |
| SCHEMBL17344419 | 0.92 | — | — | |
| SCHEMBL17827808 | 0.88 | KDM1A (0.34) | — | |
| SCHEMBL9979432 | 0.88 | FPR2 (0.31) | — | |
| SCHEMBL19160885 | 0.87 | GRIN1 (0.32) | — | |
| SCHEMBL9899412 | 0.86 | GAA (0.31) | — | |
| SCHEMBL9899409 | 0.86 | GAA (0.31) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2468740-B1 | TETRAHYDROPYRAN COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY DEVICES | JNC CORP (JP) | 2017-08-02 | — | — | EP | disclosed |
| US-9663716-B2 | Tetrahydropyran compound, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2017-05-30 | — | — | US | disclosed |
| US-9663716-B2 | Tetrahydropyran compound, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2017-05-30 | — | — | US | disclosed |
| EP-2468740-A1 | TETRAHYDROPYRAN COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY ELEMENTS | JNC Corporation (JP) | 2012-06-27 | — | — | EP | disclosed |
| US-20120145958-A1 | TETRAHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2012-06-14 | — | — | US | disclosed |
| US-20120145958-A1 | TETRAHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2012-06-14 | — | — | US | disclosed |
| WO-2011021534-A1 | TETRAHYDROPYRAN COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY ELEMENTS | チッソ株式会社 (JP) | 2011-02-24 | — | — | WO | disclosed |