⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18314995 | 0.93 | — | — | |
| SCHEMBL18315031 | 0.90 | — | — | |
| SCHEMBL18314810 | 0.90 | — | — | |
| SCHEMBL18315132 | 0.89 | — | — | |
| SCHEMBL18314874 | 0.87 | — | — | |
| SCHEMBL17050137 | 0.85 | CYP11B1 (0.30) | — | |
| SCHEMBL18314988 | 0.85 | CYP2C9 (0.41) | — | |
| SCHEMBL18314812 | 0.82 | KDM1A (0.32) | — | |
| SCHEMBL18314928 | 0.82 | — | — | |
| SCHEMBL18315034 | 0.82 | CYP2C9 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3135659-A1 | LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC Corporation (JP) | 2017-03-01 | — | — | EP | disclosed |
| US-20160362605-A1 | LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2016-12-15 | — | — | US | disclosed |