⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20111320 | 0.78 | PTGS1 (0.35) | — | |
| SCHEMBL20102616 | 0.74 | TDP2 (0.31) | — | |
| SCHEMBL20117693 | 0.71 | — | — | |
| SCHEMBL1256906 | 0.68 | SOS1 (0.30) | — | |
| SCHEMBL15257911 | 0.67 | TDP2 (0.50) | — | |
| SCHEMBL20117661 | 0.67 | — | — | |
| SCHEMBL27792581 | 0.67 | FFAR1 (0.41) | — | |
| SCHEMBL20111240 | 0.67 | SCN9A (0.35) | — | |
| SCHEMBL20111333 | 0.67 | PDE10A (0.33) | — | |
| SCHEMBL20111235 | 0.66 | TYR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3315583-A1 | LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC Corporation (JP) | 2018-05-02 | — | — | EP | disclosed |