⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20117603 | 0.87 | — | — | |
| SCHEMBL20102531 | 0.85 | EPHX1 (0.32) | — | |
| SCHEMBL20117659 | 0.84 | FGFR2 (0.30) | — | |
| SCHEMBL20111705 | 0.82 | HTR2A (0.30) | — | |
| SCHEMBL20117810 | 0.76 | FFAR4 (0.32) | — | |
| SCHEMBL15340073 | 0.73 | MAOA (0.31) | — | |
| SCHEMBL20102397 | 0.73 | CTSL (0.39) | — | |
| SCHEMBL20102591 | 0.72 | GAA (0.30) | — | |
| SCHEMBL20102471 | 0.72 | SLC6A2 (0.32) | — | |
| SCHEMBL20111722 | 0.72 | CTSL (0.31) | — |
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-10323187-B2 | Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2019-06-18 | — | — | US | disclosed |
| US-20180119009-A1 | LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2018-05-03 | — | — | US | disclosed |