⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12718578 | 0.94 | — | — | |
| SCHEMBL12738301 | 0.93 | — | — | |
| SCHEMBL14922614 | 0.93 | — | — | |
| SCHEMBL12738303 | 0.91 | — | — | |
| SCHEMBL14922507 | 0.90 | — | — | |
| SCHEMBL12196781 | 0.90 | CTSL (0.35) | — | |
| SCHEMBL12738310 | 0.90 | ESR2 (0.33) | — | |
| SCHEMBL14922554 | 0.89 | — | — | |
| SCHEMBL12196735 | 0.89 | CTSL (0.33) | — | |
| SCHEMBL12196738 | 0.89 | — | — |
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-8394294-B2 | Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2013-03-12 | — | — | US | disclosed |
| US-20110090450-A1 | FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2011-04-21 | — | — | US | disclosed |