⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19854667 | 0.94 | FFAR4 (0.31) | — | |
| SCHEMBL20322612 | 0.89 | — | — | |
| SCHEMBL19855954 | 0.88 | — | — | |
| SCHEMBL19854644 | 0.86 | — | — | |
| SCHEMBL19854638 | 0.86 | MMP2 (0.38) | — | |
| SCHEMBL19854224 | 0.85 | CYP2C9 (0.34) | — | |
| SCHEMBL19854661 | 0.85 | CYP3A4 (0.32) | — | |
| SCHEMBL20313563 | 0.85 | CYP2C9 (0.38) | — | |
| SCHEMBL19721893 | 0.84 | FFAR4 (0.37) | — | |
| SCHEMBL19854663 | 0.84 | FFAR4 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3351525-A1 | POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC Corporation (JP) | 2018-07-25 | — | — | EP | disclosed |