⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19829191 | 0.83 | — | — | |
| SCHEMBL18310377 | 0.82 | CYP2C9 (0.40) | — | |
| SCHEMBL18310500 | 0.82 | CYP2C9 (0.38) | — | |
| SCHEMBL18310510 | 0.79 | CYP2C9 (0.38) | — | |
| SCHEMBL13128370 | 0.79 | CYP2C9 (0.38) | — | |
| SCHEMBL18310573 | 0.79 | CYP2C9 (0.36) | — | |
| SCHEMBL13128373 | 0.77 | CYP1A2 (0.33) | — | |
| SCHEMBL18310449 | 0.76 | MEN1 (0.33) | — | |
| SCHEMBL19829118 | 0.76 | CYP2C9 (0.36) | — | |
| SCHEMBL20111082 | 0.76 | — | — |
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-20180030351-A1 | LIQUID CRYSTAL COMPOUND HAVING POLYFLUORO-2-BUTENOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2018-02-01 | — | — | US | disclosed |