⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15221024 | 0.86 | — | — | |
| SCHEMBL10022118 | 0.80 | FFAR4 (0.39) | — | |
| SCHEMBL15220782 | 0.80 | — | — | |
| SCHEMBL15220763 | 0.76 | KDM1A (0.33) | — | |
| SCHEMBL15318607 | 0.74 | KDM1A (0.32) | — | |
| SCHEMBL15220759 | 0.73 | KDM1A (0.32) | — | |
| SCHEMBL15221021 | 0.73 | — | — | |
| SCHEMBL15316506 | 0.72 | FFAR4 (0.33) | — | |
| SCHEMBL15318612 | 0.71 | MEN1 (0.35) | — | |
| SCHEMBL18364604 | 0.70 | CTSL (0.38) | — |
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 4 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-20130277612-A1 | CYCLOHEXENE-3,6-DIYL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION | 2013-10-24 | — | — | 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 |