⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2214788 | 0.87 | ALDH1A1 (0.33) | — | |
| SCHEMBL12662907 | 0.80 | — | — | |
| SCHEMBL16769012 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL17147799 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL7770611 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL20888526 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL7770613 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL7770608 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL8849504 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL9998778 | 0.73 | ALDH1A1 (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8003006-B2 | Difluorobenzene derivative and nematic liquid crystal composition using the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2011-08-23 | — | — | US | disclosed |
| US-7651630-B2 | Difluorobenzene derivative and nematic liquid crystal composition using the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2010-01-26 | — | — | US | disclosed |
| US-20090200514-A1 | DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION USING THE SAME | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2009-08-13 | — | — | US | disclosed |
| US-20090050843-A1 | DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION USING THE SAME | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2009-02-26 | — | — | US | disclosed |