⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20006718 | 0.88 | — | — | |
| SCHEMBL19999392 | 0.87 | — | — | |
| SCHEMBL19999515 | 0.85 | — | — | |
| SCHEMBL19999508 | 0.84 | — | — | |
| SCHEMBL20005265 | 0.82 | — | — | |
| SCHEMBL20004801 | 0.81 | — | — | |
| SCHEMBL20005253 | 0.81 | ERN1 (0.32) | — | |
| SCHEMBL20006712 | 0.79 | ESR1 (0.33) | — | |
| SCHEMBL20004763 | 0.78 | — | — | |
| SCHEMBL19999604 | 0.78 | ERN1 (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 |
|---|---|---|---|---|---|---|---|
| EP-3299439-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC Corporation (JP) | 2018-03-28 | — | — | EP | disclosed |