⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25693761 | 0.98 | — | — | |
| SCHEMBL9406306 | 0.97 | — | — | |
| SCHEMBL25693744 | 0.97 | — | — | |
| SCHEMBL25693749 | 0.97 | — | — | |
| SCHEMBL8967447 | 0.96 | — | — | |
| SCHEMBL25693760 | 0.96 | — | — | |
| SCHEMBL8967680 | 0.95 | — | — | |
| SCHEMBL7645309 | 0.95 | — | — | |
| SCHEMBL13178281 | 0.95 | TLR4 (0.31) | — | |
| SCHEMBL2935758 | 0.95 | TLR4 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230183572-A1 | LIQUID CRYSTAL COMPOSITION WITH GOOD FREQUENCY DEPENDENCE AND LIQUID CRYSTAL DISPLAY ELEMENT | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) | 2023-06-15 | — | — | US | disclosed |