⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14070810 | 0.80 | GRM2 (0.32) | — | |
| SCHEMBL14070826 | 0.80 | GRM2 (0.32) | — | |
| SCHEMBL14070777 | 0.78 | CA1 (0.32) | — | |
| SCHEMBL10021606 | 0.75 | CA1 (0.34) | — | |
| SCHEMBL14070807 | 0.75 | — | — | |
| SCHEMBL14070802 | 0.74 | — | — | |
| SCHEMBL12433449 | 0.72 | CYP2A6 (0.30) | — | |
| SCHEMBL20958104 | 0.72 | CA1 (0.34) | — | |
| SCHEMBL14070768 | 0.72 | CA1 (0.34) | — | |
| SCHEMBL14070793 | 0.72 | SYK (0.35) | — |
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-7429411-B2 | Chroman compound, liquid crystal composition including the compound and liquid crystal display element including the liquid crystal composition | CHISSO PETROCHEMICAL CORPORATION (JP) | 2008-09-30 | — | — | US | disclosed |
| US-7429411-B2 | Chroman compound, liquid crystal composition including the compound and liquid crystal display element including the liquid crystal composition | CHISSO PETROCHEMICAL CORPORATION (JP) | 2008-09-30 | — | — | US | disclosed |