⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17620770 | 0.91 | — | — | |
| SCHEMBL17620765 | 0.83 | — | — | |
| SCHEMBL20664257 | 0.81 | — | — | |
| SCHEMBL20998319 | 0.79 | GBA1 (0.33) | — | |
| SCHEMBL16844688 | 0.77 | PPP5C (0.31) | — | |
| SCHEMBL17620764 | 0.77 | — | — | |
| SCHEMBL16844765 | 0.76 | PPP5C (0.32) | — | |
| SCHEMBL15196163 | 0.75 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL17355038 | 0.75 | — | — | |
| SCHEMBL17355025 | 0.75 | CYP1A2 (0.31) | — |
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-20160083653-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME AND LIQUID CRYSTAL DISPLAY INCLUDING THE LIQUID CRYSTAL COMPOSITION | SAMSUNG DISPLAY CO., LTD. (KR) | 2016-03-24 | — | — | US | disclosed |