⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18862466 | 0.70 | — | — | |
| SCHEMBL23673824 | 0.63 | — | — | |
| SCHEMBL21566588 | 0.59 | TRPA1 (0.30) | — | |
| SCHEMBL14293874 | 0.58 | — | — | |
| SCHEMBL16639401 | 0.58 | — | — | |
| SCHEMBL23158264 | 0.57 | — | — | |
| SCHEMBL9908321 | 0.57 | — | — | |
| SCHEMBL13178737 | 0.57 | — | — | |
| SCHEMBL12109588 | 0.57 | — | — | |
| SCHEMBL23673714 | 0.56 | HSD11B1 (0.30) | — |
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-10392562-B2 | Polymerizable liquid crystal compounds, polymerizable liquid crystal compositions, liquid crystalline polymers, phase difference film and display device | JNC CORPORATION (JP) | 2019-08-27 | — | — | US | disclosed |
| US-20180079957-A1 | POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS, LIQUID CRYSTALLINE POLYMERS, PHASE DIFFERENCE FILM AND DISPLAY DEVICE | JNC CORPORATION (JP) | 2018-03-22 | — | — | US | disclosed |