⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13026360 | 0.92 | PTGS1 (0.33) | — | |
| SCHEMBL13980197 | 0.84 | THRA (0.41) | — | |
| SCHEMBL13980212 | 0.80 | BRD4 (0.32) | — | |
| SCHEMBL13515596 | 0.79 | PTGS1 (0.32) | — | |
| SCHEMBL13713440 | 0.78 | — | — | |
| SCHEMBL12511069 | 0.76 | CYP2C9 (0.39) | — | |
| SCHEMBL13980130 | 0.76 | CYP2C9 (0.39) | — | |
| SCHEMBL13980226 | 0.76 | GRM2 (0.30) | — | |
| SCHEMBL13980218 | 0.76 | BRD4 (0.32) | — | |
| SCHEMBL13980209 | 0.75 | ALOX5 (0.34) | — |
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-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 |
| EP-1997867-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) | 2008-12-03 | — | — | EP | disclosed |
| EP-1655360-B1 | Compound having alkyl on benzene ring, liquid crystal compositions having the compound and liquid crystal display device having the liquid crystal composition | CHISSO CORP (JP) | 2008-11-12 | — | — | EP | disclosed |