⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12734550 | 0.96 | — | — | |
| SCHEMBL12739488 | 0.93 | CYP1A1 (0.32) | — | |
| SCHEMBL12734528 | 0.91 | AHR (0.35) | — | |
| SCHEMBL12734547 | 0.91 | MEN1 (0.33) | — | |
| SCHEMBL14765850 | 0.90 | HDAC8 (0.33) | — | |
| SCHEMBL12734532 | 0.90 | HDAC8 (0.36) | — | |
| SCHEMBL12734525 | 0.89 | HMOX1 (0.35) | — | |
| SCHEMBL12739484 | 0.89 | CYP1A1 (0.32) | — | |
| SCHEMBL12734543 | 0.89 | HDAC8 (0.36) | — | |
| SCHEMBL12734538 | 0.89 | HDAC8 (0.36) | — |
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 |