⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12223932 | 0.99 | — | — | |
| SCHEMBL12223960 | 0.91 | GPR119 (0.30) | — | |
| SCHEMBL12223871 | 0.90 | — | — | |
| SCHEMBL12907988 | 0.90 | — | — | |
| SCHEMBL12836039 | 0.89 | — | — | |
| SCHEMBL12836680 | 0.89 | — | — | |
| SCHEMBL12223447 | 0.87 | — | — | |
| SCHEMBL12224051 | 0.85 | — | — | |
| SCHEMBL12223352 | 0.85 | — | — | |
| SCHEMBL12223968 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120018672-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO PETROCHEMICAL CORPORATION (JP) | 2012-01-26 | — | — | US | disclosed |
| WO-2010082558-A1 | LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | チッソ株式会社 (JP) | 2010-07-22 | — | — | WO | disclosed |