⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14765846 | 1.00 | — | — | |
| SCHEMBL14767055 | 0.97 | — | — | |
| SCHEMBL14766372 | 0.97 | FPR2 (0.30) | — | |
| SCHEMBL14765909 | 0.97 | FPR2 (0.30) | — | |
| SCHEMBL14765820 | 0.97 | — | — | |
| SCHEMBL14765861 | 0.95 | GABRA1 (0.31) | — | |
| SCHEMBL14766497 | 0.95 | GABRA1 (0.31) | — | |
| SCHEMBL14765901 | 0.94 | GABRA1 (0.30) | — | |
| SCHEMBL14766883 | 0.94 | GABRA1 (0.30) | — | |
| SCHEMBL12739358 | 0.92 | — | — |
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 1 patent. 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 |