⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15340000 | 0.88 | VEGFA (0.31) | — | |
| SCHEMBL15343771 | 0.86 | HCRTR1 (0.33) | — | |
| SCHEMBL8971890 | 0.86 | GRM2 (0.34) | — | |
| SCHEMBL8972405 | 0.81 | FPR2 (0.30) | — | |
| SCHEMBL8971939 | 0.81 | SLC6A2 (0.34) | — | |
| SCHEMBL15340233 | 0.79 | HTR2C (0.30) | — | |
| SCHEMBL15339987 | 0.79 | VEGFA (0.31) | — | |
| SCHEMBL12834598 | 0.76 | — | — | |
| SCHEMBL15235167 | 0.75 | — | — | |
| SCHEMBL12759739 | 0.74 | SSTR5 (0.33) | — |
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-9102871-B2 | Liquid crystal compound showing negative dielectric anisotropy, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2015-08-11 | — | — | US | disclosed |
| US-20130277610-A1 | LIQUID CRYSTAL COMPOUND SHOWING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2013-10-24 | — | — | US | disclosed |