⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20005256 | 1.00 | — | — | |
| SCHEMBL20005292 | 0.89 | AKR1C3 (0.32) | — | |
| SCHEMBL19999612 | 0.86 | — | — | |
| SCHEMBL20004767 | 0.84 | PDE3B (0.31) | — | |
| SCHEMBL19999573 | 0.84 | RARB (0.36) | — | |
| SCHEMBL20005303 | 0.83 | — | — | |
| SCHEMBL19999479 | 0.81 | HMOX1 (0.33) | — | |
| SCHEMBL20005213 | 0.81 | FFAR1 (0.33) | — | |
| SCHEMBL20005240 | 0.81 | FFAR1 (0.33) | — | |
| SCHEMBL20005250 | 0.80 | — | — |
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 3 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 |
| EP-3299439-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC Corporation (JP) | 2018-03-28 | — | — | EP | disclosed |