⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13980225 | 0.90 | — | — | |
| SCHEMBL14035164 | 0.89 | — | — | |
| SCHEMBL12433700 | 0.87 | KDM1A (0.32) | — | |
| SCHEMBL2210948 | 0.82 | ACE2 (0.33) | — | |
| SCHEMBL12984217 | 0.81 | GRIN1 (0.32) | — | |
| SCHEMBL2211326 | 0.79 | ACE2 (0.32) | — | |
| SCHEMBL12433806 | 0.78 | ACE2 (0.31) | — | |
| SCHEMBL22277354 | 0.77 | CYP2C9 (0.33) | — | |
| SCHEMBL12433596 | 0.77 | CNR2 (0.34) | — | |
| SCHEMBL17522463 | 0.76 | FFAR4 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7981486-B2 | Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition | JNC CORPORATION (JP) | 2011-07-19 | — | — | US | disclosed |
| US-7846513-B2 | Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition | CHISSO CORPORATION (JP) | 2010-12-07 | — | — | US | disclosed |
| US-20090230356-A1 | COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION | CHISSO CORPORATION (JP) | 2009-09-17 | — | — | US | disclosed |