⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12715454 | 0.87 | CA1 (0.35) | — | |
| SCHEMBL12332410 | 0.77 | CA1 (0.32) | — | |
| SCHEMBL14000722 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL17025659 | 0.71 | — | — | |
| SCHEMBL85324 | 0.68 | — | — | |
| SCHEMBL14628726 | 0.67 | TSHR (0.50) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL8688177 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL22487977 | 0.64 | LMNA (0.41) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL38660221 | 0.63 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL22468433 | 0.62 | LMNA (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3246376-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME | National University Corporation Chiba University (JP) | 2017-11-22 | — | — | EP | disclosed |