⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13263078 | 0.95 | — | — | |
| SCHEMBL8943065 | 0.94 | KLKB1 (0.30) | — | |
| SCHEMBL12024591 | 0.93 | — | — | |
| SCHEMBL9016882 | 0.93 | — | — | |
| SCHEMBL8943105 | 0.92 | — | — | |
| SCHEMBL8943264 | 0.91 | FPR2 (0.31) | — | |
| SCHEMBL8943121 | 0.91 | FPR2 (0.31) | — | |
| SCHEMBL8943160 | 0.90 | CTSL (0.30) | — | |
| SCHEMBL9019060 | 0.89 | — | — | |
| SCHEMBL8942874 | 0.88 | — | — |
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-20100309402-A1 | FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2010-12-09 | — | — | US | disclosed |