⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6664346 | 0.90 | TACR1 (0.31) | — | |
| SCHEMBL6666423 | 0.89 | PDE2A (0.35) | — | |
| SCHEMBL6666390 | 0.89 | TACR1 (0.33) | — | |
| SCHEMBL6665471 | 0.88 | ALDH1A1 (0.38) | — | |
| SCHEMBL6667727 | 0.86 | — | — | |
| SCHEMBL6666597 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL6661265 | 0.86 | GPR139 (0.32) | — | |
| SCHEMBL6661268 | 0.85 | PDE2A (0.33) | — | |
| SCHEMBL6662990 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL6667939 | 0.85 | TACR1 (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 |
|---|---|---|---|---|---|---|---|
| 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 |