⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2493490 | 0.76 | CYP1A2 (0.39) | — | |
| SCHEMBL11889604 | 0.70 | TDP2 (0.36) | — | |
| SCHEMBL28089018 | 0.63 | TDP1 (0.42) | — | |
| SCHEMBL19101613 | 0.63 | TDP1 (0.42) | — | |
| SCHEMBL1402586 | 0.62 | CYP1A2 (0.36) | — | |
| SCHEMBL6722508 | 0.62 | — | — | |
| SCHEMBL6722506 | 0.62 | — | — | |
| SCHEMBL11704398 | 0.61 | FABP4 (0.39) | — | |
| SCHEMBL18364491 | 0.60 | ALDH1A1 (0.40) | — | |
| SCHEMBL3073816 | 0.60 | CYP1A2 (0.44) | — |
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-9783736-B2 | Liquid crystal compound, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2017-10-10 | — | — | US | disclosed |
| US-20170009137-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) | 2017-01-12 | — | — | US | disclosed |