⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12821259 | 1.00 | — | — | |
| SCHEMBL12719147 | 0.89 | — | — | |
| SCHEMBL12716892 | 0.88 | PDE4A (0.31) | — | |
| SCHEMBL12822415 | 0.88 | PDE4A (0.31) | — | |
| SCHEMBL12823059 | 0.87 | OPRL1 (0.31) | — | |
| SCHEMBL12822601 | 0.87 | ESR1 (0.31) | — | |
| SCHEMBL11939773 | 0.87 | ADRA2A (0.31) | — | |
| SCHEMBL11939042 | 0.87 | ADRA2A (0.31) | — | |
| SCHEMBL12823748 | 0.85 | GRIN2B (0.33) | — | |
| SCHEMBL12822914 | 0.85 | APP (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110090450-A1 | FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2011-04-21 | — | — | US | disclosed |