⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12889162 | 0.91 | DRD4 (0.30) | — | |
| SCHEMBL10301829 | 0.88 | — | — | |
| SCHEMBL12907531 | 0.87 | CTSL (0.30) | — | |
| SCHEMBL10301830 | 0.86 | GRM2 (0.30) | — | |
| SCHEMBL10301835 | 0.85 | CAMKK1 (0.30) | — | |
| SCHEMBL12994385 | 0.85 | — | — | |
| SCHEMBL10301774 | 0.84 | — | — | |
| SCHEMBL10301775 | 0.84 | CTSL (0.31) | — | |
| SCHEMBL10301772 | 0.84 | CTSL (0.31) | — | |
| SCHEMBL13654070 | 0.84 | NFE2L2 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8216489-B2 | Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device | JNC CORPORATION (JP) | 2012-07-10 | — | — | US | disclosed |
| US-8216489-B2 | Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device | JNC CORPORATION (JP) | 2012-07-10 | — | — | US | disclosed |
| EP-2266941-A1 | TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | Chisso Corporation (JP) | 2010-12-29 | — | — | EP | disclosed |