⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19844683 | 0.94 | SCN9A (0.31) | — | |
| SCHEMBL20072521 | 0.91 | ALOX5 (0.30) | — | |
| SCHEMBL20063289 | 0.90 | TLR4 (0.33) | — | |
| SCHEMBL20111060 | 0.90 | SCN9A (0.32) | — | |
| SCHEMBL20063286 | 0.88 | — | — | |
| SCHEMBL20063284 | 0.87 | — | — | |
| SCHEMBL16789600 | 0.87 | TLR4 (0.31) | — | |
| SCHEMBL18083595 | 0.85 | — | — | |
| SCHEMBL19844684 | 0.85 | CYP1A2 (0.32) | — | |
| SCHEMBL14421637 | 0.84 | SCN9A (0.31) | — |
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-20180119011-A1 | LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE THEREOF | JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) | 2018-05-03 | — | — | US | disclosed |
| US-20180105747-A1 | LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE THEREOF | JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) | 2018-04-19 | — | — | US | disclosed |