⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10302947 | 0.91 | — | — | |
| SCHEMBL10302944 | 0.91 | — | — | |
| SCHEMBL10302861 | 0.89 | ACACB (0.31) | — | |
| SCHEMBL12718228 | 0.88 | — | — | |
| SCHEMBL13586100 | 0.88 | — | — | |
| SCHEMBL10302976 | 0.88 | ADRA2A (0.32) | — | |
| SCHEMBL12223950 | 0.87 | PDE4A (0.33) | — | |
| SCHEMBL10302882 | 0.87 | PDE4A (0.33) | — | |
| SCHEMBL1242653 | 0.87 | KDM1A (0.32) | — | |
| SCHEMBL1242657 | 0.87 | KDM1A (0.32) | — |
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-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-20110037024-A1 | THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2011-02-17 | — | — | US | disclosed |