⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20006717 | 0.91 | TNKS (0.30) | — | |
| SCHEMBL20006838 | 0.87 | TNKS (0.30) | — | |
| SCHEMBL19288188 | 0.84 | FFAR4 (0.37) | — | |
| SCHEMBL19999513 | 0.82 | RARB (0.32) | — | |
| SCHEMBL20006683 | 0.80 | GRM5 (0.31) | — | |
| SCHEMBL20006675 | 0.79 | MEN1 (0.32) | — | |
| SCHEMBL20006923 | 0.78 | AKR1C3 (0.30) | — | |
| SCHEMBL20005249 | 0.78 | — | — | |
| SCHEMBL20006859 | 0.78 | ALOX5AP (0.30) | — | |
| SCHEMBL20006839 | 0.78 | ERN1 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10208249-B2 | Liquid crystal compound, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2019-02-19 | — | — | US | disclosed |
| US-20180086979-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2018-03-29 | — | — | US | disclosed |