⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18359251 | 0.83 | CA1 (0.32) | — | |
| SCHEMBL16844682 | 0.76 | — | — | |
| SCHEMBL15062137 | 0.76 | — | — | |
| SCHEMBL15062152 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL19621822 | 0.75 | KDM4E (0.30) | — | |
| SCHEMBL24104420 | 0.73 | KDM4E (0.31) | — | |
| SCHEMBL24104266 | 0.73 | KDM4E (0.31) | — | |
| SCHEMBL16844752 | 0.72 | APLNR (0.32) | — | |
| SCHEMBL13299265 | 0.72 | APLNR (0.32) | — | |
| SCHEMBL16749928 | 0.70 | — | — |
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-9580652-B2 | Liquid crystal compound, liquid crystal composition including the same and liquid crystal display including the liquid crystal composition | SAMSUNG DISPLAY CO., LTD. (KR) | 2017-02-28 | — | — | US | disclosed |