⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6663211 | 0.93 | — | — | |
| SCHEMBL6667079 | 0.87 | — | — | |
| SCHEMBL6895319 | 0.86 | HTR2A (0.32) | — | |
| SCHEMBL12733782 | 0.82 | CYP2C9 (0.38) | — | |
| SCHEMBL30665195 | 0.82 | CYP2C9 (0.38) | — | |
| SCHEMBL18134228 | 0.82 | CYP2C9 (0.38) | — | |
| SCHEMBL3274912 | 0.82 | CYP2C9 (0.38) | — | |
| SCHEMBL2604709 | 0.82 | CYP2C9 (0.38) | — | |
| SCHEMBL6667379 | 0.82 | OPRL1 (0.30) | — | |
| SCHEMBL9631433 | 0.81 | CYP2C9 (0.37) | — |
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 |