⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12621600 | 0.88 | CYP2C9 (0.34) | — | |
| SCHEMBL12376042 | 0.86 | MAOA (0.36) | — | |
| SCHEMBL12375875 | 0.82 | MAOA (0.38) | — | |
| SCHEMBL12621595 | 0.82 | GRM2 (0.38) | — | |
| SCHEMBL12376031 | 0.82 | CYP2C9 (0.32) | — | |
| SCHEMBL12622304 | 0.79 | CYP2C9 (0.32) | — | |
| SCHEMBL12375761 | 0.78 | — | — | |
| SCHEMBL12376010 | 0.78 | CYP2C9 (0.32) | — | |
| SCHEMBL12376059 | 0.78 | SIRT2 (0.32) | — | |
| SCHEMBL12375882 | 0.78 | CES2 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110193021-A1 | COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2011-08-11 | — | — | US | disclosed |
| US-20110193021-A1 | COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2011-08-11 | — | — | US | disclosed |
| US-7951305-B2 | Compound having hydrocoumarin skeleton, liquid crystal composition, and liquid crystal display device | CHISSO CORPORATION (JP) | 2011-05-31 | — | — | US | disclosed |
| US-7951305-B2 | Compound having hydrocoumarin skeleton, liquid crystal composition, and liquid crystal display device | CHISSO CORPORATION (JP) | 2011-05-31 | — | — | US | disclosed |
| US-20090267026-A1 | COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2009-10-29 | — | — | US | disclosed |
| US-20090267026-A1 | COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2009-10-29 | — | — | US | disclosed |