⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20118114 | 0.92 | — | — | |
| SCHEMBL20111077 | 0.91 | — | — | |
| SCHEMBL20111078 | 0.89 | — | — | |
| SCHEMBL20111076 | 0.88 | SLC6A2 (0.31) | — | |
| SCHEMBL12032903 | 0.83 | — | — | |
| SCHEMBL12032633 | 0.82 | — | — | |
| SCHEMBL19844683 | 0.82 | SCN9A (0.31) | — | |
| SCHEMBL20118112 | 0.81 | — | — | |
| SCHEMBL19844686 | 0.81 | — | — | |
| SCHEMBL12032642 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180119011-A1 | LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE THEREOF | JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) | 2018-05-03 | — | — | US | disclosed |