⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20808286 | 0.87 | — | — | |
| SCHEMBL10014270 | 0.86 | — | — | |
| SCHEMBL17359283 | 0.85 | SLC6A4 (0.32) | — | |
| SCHEMBL12999681 | 0.84 | — | — | |
| SCHEMBL803444 | 0.83 | — | — | |
| SCHEMBL18808213 | 0.83 | — | — | |
| SCHEMBL9939805 | 0.83 | — | — | |
| SCHEMBL12999865 | 0.83 | HSD11B1 (0.30) | — | |
| SCHEMBL17356653 | 0.82 | — | — | |
| SCHEMBL21277547 | 0.82 | — | — |
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-9527870-B2 | Liquid crystal compound, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2016-12-27 | — | — | US | disclosed |
| US-20150368272-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2015-12-24 | — | — | US | disclosed |