⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17344464 | 1.00 | — | — | |
| SCHEMBL17344448 | 0.92 | — | — | |
| SCHEMBL17344449 | 0.91 | — | — | |
| SCHEMBL17344436 | 0.88 | — | — | |
| SCHEMBL17344458 | 0.87 | NOTUM (0.31) | — | |
| SCHEMBL17344460 | 0.84 | NOTUM (0.30) | — | |
| SCHEMBL17344443 | 0.84 | NOTUM (0.30) | — | |
| SCHEMBL172451 | 0.83 | ESR2 (0.34) | — | |
| SCHEMBL31026 | 0.79 | ESR2 (0.37) | — | |
| SCHEMBL802760 | 0.79 | ESR2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9499744-B2 | Dihydropyran compound, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2016-11-22 | — | — | US | disclosed |
| US-20150361344-A1 | DIHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2015-12-17 | — | — | US | disclosed |