⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10022074 | 0.95 | — | — | |
| SCHEMBL15316633 | 0.84 | — | — | |
| SCHEMBL10022131 | 0.84 | — | — | |
| SCHEMBL15220737 | 0.84 | — | — | |
| SCHEMBL15316519 | 0.81 | — | — | |
| SCHEMBL21182945 | 0.80 | — | — | |
| SCHEMBL15316520 | 0.80 | — | — | |
| SCHEMBL21182853 | 0.79 | — | — | |
| SCHEMBL10022077 | 0.78 | — | — | |
| SCHEMBL15220871 | 0.78 | — | — |
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-9090825-B2 | Cyclohexene-3,6-diyl compound, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2015-07-28 | — | — | US | disclosed |
| US-8956552-B2 | Cyclohexene-3,6-diyl compound, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2015-02-17 | — | — | US | disclosed |
| US-20130270480-A1 | CYCLOHEXENE-3,6-DIYL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION | 2013-10-17 | — | — | US | disclosed |