⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17068644 | 0.87 | — | — | |
| SCHEMBL17070825 | 0.86 | — | — | |
| SCHEMBL17068638 | 0.85 | — | — | |
| SCHEMBL17070741 | 0.84 | — | — | |
| SCHEMBL17068692 | 0.80 | GAA (0.31) | — | |
| SCHEMBL28677635 | 0.78 | PDE4A (0.35) | — | |
| SCHEMBL30209607 | 0.78 | PDE4A (0.35) | — | |
| SCHEMBL16772308 | 0.77 | KDM1A (0.32) | — | |
| SCHEMBL14181999 | 0.77 | GAA (0.34) | — | |
| SCHEMBL17068694 | 0.76 | — | — |
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-9523038-B2 | Dihydropyran compound, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2016-12-20 | — | — | US | disclosed |
| US-20150252264-A1 | DIHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2015-09-10 | — | — | US | disclosed |