⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19687728 | 0.85 | CYP11B1 (0.34) | — | |
| SCHEMBL16546515 | 0.81 | — | — | |
| SCHEMBL9763646 | 0.80 | — | — | |
| SCHEMBL7851203 | 0.80 | — | — | |
| SCHEMBL13002705 | 0.80 | CYP11B1 (0.33) | — | |
| SCHEMBL7851204 | 0.80 | — | — | |
| SCHEMBL13408477 | 0.79 | — | — | |
| SCHEMBL17721434 | 0.78 | CYP1A2 (0.34) | — | |
| SCHEMBL13433620 | 0.78 | — | — | |
| SCHEMBL28866249 | 0.77 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| CN-112342032-A | Rod-like polar liquid crystal molecule, preparation method thereof and rod-like polar nematic liquid crystal | 华南理工大学 | 2021-02-09 | — | — | CN | 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 |