⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17070872 | 0.84 | GRM2 (0.33) | — | |
| SCHEMBL17068629 | 0.84 | CYP1A2 (0.34) | — | |
| SCHEMBL5818099 | 0.83 | CYP1A2 (0.35) | — | |
| SCHEMBL17068617 | 0.78 | CYP1A2 (0.33) | — | |
| SCHEMBL17068557 | 0.76 | — | — | |
| SCHEMBL17068572 | 0.76 | CYP1A2 (0.30) | — | |
| SCHEMBL17068569 | 0.76 | CYP1A2 (0.30) | — | |
| SCHEMBL17068638 | 0.76 | — | — | |
| SCHEMBL17063626 | 0.75 | NPC1 (0.33) | — | |
| SCHEMBL17068525 | 0.75 | KDM1A (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 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 |