⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12718052 | 0.89 | — | — | |
| SCHEMBL12822879 | 0.88 | ESR1 (0.30) | — | |
| SCHEMBL12994383 | 0.85 | PDE4A (0.33) | — | |
| SCHEMBL12718111 | 0.85 | — | — | |
| SCHEMBL12718609 | 0.85 | MEN1 (0.33) | — | |
| SCHEMBL12719057 | 0.84 | KCNA3 (0.31) | — | |
| SCHEMBL12822722 | 0.83 | APP (0.33) | — | |
| SCHEMBL12718938 | 0.82 | CYP1A1 (0.31) | — | |
| SCHEMBL12823038 | 0.82 | — | — | |
| SCHEMBL12822584 | 0.82 | — | — |
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 |