⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17068702 | 0.91 | CYP1A2 (0.31) | — | |
| SCHEMBL17068643 | 0.90 | — | — | |
| SCHEMBL17068631 | 0.89 | HTR2A (0.33) | — | |
| SCHEMBL17068644 | 0.88 | — | — | |
| SCHEMBL17068701 | 0.87 | FPR2 (0.34) | — | |
| SCHEMBL17068626 | 0.84 | — | — | |
| SCHEMBL17068634 | 0.84 | — | — | |
| SCHEMBL17068649 | 0.84 | — | — | |
| SCHEMBL17068714 | 0.83 | — | — | |
| SCHEMBL17068633 | 0.83 | HPGD (0.37) | — |
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-9523038-B2 | Dihydropyran compound, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2016-12-20 | — | — | US | disclosed |
| 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 |
| US-20150252264-A1 | DIHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2015-09-10 | — | — | US | disclosed |