⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21287650 | 0.98 | MMP1 (0.30) | — | |
| SCHEMBL21287776 | 0.89 | FASN (0.37) | — | |
| SCHEMBL21287778 | 0.89 | MMP2 (0.32) | — | |
| SCHEMBL21287654 | 0.86 | MMP2 (0.34) | — | |
| SCHEMBL21287784 | 0.85 | CYP3A4 (0.33) | — | |
| SCHEMBL21287379 | 0.85 | MMP2 (0.39) | — | |
| SCHEMBL21287648 | 0.82 | CYP2C9 (0.32) | — | |
| SCHEMBL21287770 | 0.81 | CYP2C9 (0.33) | — | |
| SCHEMBL21287828 | 0.79 | MMP2 (0.36) | — | |
| SCHEMBL21287815 | 0.79 | FASN (0.34) | — |
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-11130911-B2 | Liquid crystal compound and liquid crystal composition | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) | 2021-09-28 | — | — | US | disclosed |
| US-20190256772-A1 | LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) | 2019-08-22 | — | — | US | disclosed |