⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17355516 | 0.92 | — | — | |
| SCHEMBL17355592 | 0.87 | IDO1 (0.31) | — | |
| SCHEMBL17355480 | 0.84 | AR (0.32) | — | |
| SCHEMBL17355482 | 0.83 | KIF11 (0.30) | — | |
| SCHEMBL17365767 | 0.83 | — | — | |
| SCHEMBL17487395 | 0.80 | — | — | |
| SCHEMBL17369393 | 0.80 | CTSL (0.38) | — | |
| SCHEMBL17355523 | 0.80 | ALOX5AP (0.34) | — | |
| SCHEMBL17355422 | 0.79 | IDO1 (0.30) | — | |
| SCHEMBL17487618 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9441161-B2 | Liquid crystal compound, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2016-09-13 | — | — | US | disclosed |
| US-9441161-B2 | Liquid crystal compound, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2016-09-13 | — | — | US | disclosed |
| US-20160032187-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2016-02-04 | — | — | US | disclosed |
| US-20160032187-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2016-02-04 | — | — | US | disclosed |