⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6664900 | 1.00 | — | — | |
| SCHEMBL6664028 | 0.94 | ALDH1A1 (0.30) | — | |
| SCHEMBL6661222 | 0.94 | ALDH1A1 (0.30) | — | |
| SCHEMBL6661138 | 0.93 | CYP2C9 (0.31) | — | |
| SCHEMBL6665718 | 0.93 | SPHK1 (0.30) | — | |
| SCHEMBL6666595 | 0.93 | ALDH1A1 (0.33) | — | |
| SCHEMBL6664960 | 0.91 | — | — | |
| SCHEMBL6667966 | 0.91 | — | — | |
| SCHEMBL6666512 | 0.91 | — | — | |
| SCHEMBL6664938 | 0.91 | ALDH1A1 (0.32) | — |
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-0893423-B1 | LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES | CHISSO CORP (JP) | 2004-09-01 | — | — | EP | disclosed |