⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7722483 | 0.92 | — | — | |
| SCHEMBL7731382 | 0.92 | — | — | |
| SCHEMBL7730513 | 0.91 | PTGS2 (0.33) | — | |
| SCHEMBL7730527 | 0.90 | CETP (0.33) | — | |
| SCHEMBL7732819 | 0.89 | PDE2A (0.32) | — | |
| SCHEMBL7722507 | 0.88 | FFAR4 (0.31) | — | |
| SCHEMBL7731656 | 0.86 | — | — | |
| SCHEMBL7731658 | 0.86 | — | — | |
| SCHEMBL8836306 | 0.86 | — | — | |
| SCHEMBL7730290 | 0.85 | CETP (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0786445-B1 | DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION | CHISSO CORP (JP) | 2002-07-17 | — | — | EP | disclosed |
| US-5858270-A | Difluorooxymethane derivative and liquid crystal composition | CHISSO CORPORATION (JP) | 1999-01-12 | — | — | US | disclosed |
| EP-0786445-A1 | DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION | CHISSO CORPORATION (JP) | 1997-07-30 | — | — | EP | disclosed |