⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16871097 | 0.79 | HSD17B3 (0.32) | — | |
| SCHEMBL25583308 | 0.71 | ALDH1A1 (0.44) | — | |
| SCHEMBL14523541 | 0.71 | NQO1 (0.38) | — | |
| SCHEMBL22011222 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL9927891 | 0.65 | AHR (0.46) | — | |
| SCHEMBL13699684 | 0.62 | KDM4E (0.51) | — | |
| SCHEMBL5986942 | 0.62 | ALDH1A1 (0.47) | — | |
| SCHEMBL16871166 | 0.62 | NISCH (0.40) | — | |
| SCHEMBL20927284 | 0.61 | RAB9A (0.40) | — | |
| SCHEMBL16871067 | 0.60 | HSD17B3 (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-9428693-B2 | Liquid crystal composition having negative dielectric anisotropy | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) | 2016-08-30 | — | — | US | disclosed |
| US-20150184075-A1 | Liquid Crystal Composition Having Negative Dielectric Anisotropy | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) | 2015-07-02 | — | — | US | disclosed |