⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19680100 | 0.95 | — | — | |
| SCHEMBL19680098 | 0.94 | — | — | |
| SCHEMBL19680095 | 0.93 | — | — | |
| SCHEMBL18156612 | 0.90 | — | — | |
| SCHEMBL19665920 | 0.89 | — | — | |
| SCHEMBL24337148 | 0.89 | — | — | |
| SCHEMBL19679588 | 0.88 | FASN (0.31) | — | |
| SCHEMBL12396463 | 0.88 | GRM2 (0.30) | — | |
| SCHEMBL25574676 | 0.88 | — | — | |
| SCHEMBL12625218 | 0.87 | GRM2 (0.33) | — |
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-20170349830-A1 | LIQUID CRYSTAL COMPOUND CONTAINING DIFLUORMETHOXY BRIDGE, COMPOSITION AND APPLICATION THEREOF | BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD. (CN) | 2017-12-07 | — | — | US | disclosed |
| US-20170349830-A1 | LIQUID CRYSTAL COMPOUND CONTAINING DIFLUORMETHOXY BRIDGE, COMPOSITION AND APPLICATION THEREOF | BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD. (CN) | 2017-12-07 | — | — | US | disclosed |