⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7731306 | 1.00 | — | — | |
| SCHEMBL7732509 | 0.97 | — | — | |
| SCHEMBL7732514 | 0.97 | — | — | |
| SCHEMBL7722620 | 0.93 | CYP2C9 (0.33) | — | |
| SCHEMBL7722615 | 0.93 | CYP2C9 (0.33) | — | |
| SCHEMBL7735417 | 0.89 | GRM2 (0.30) | — | |
| SCHEMBL7735414 | 0.89 | GRM2 (0.30) | — | |
| SCHEMBL12625940 | 0.88 | FASN (0.30) | — | |
| SCHEMBL7722879 | 0.88 | MEN1 (0.32) | — | |
| SCHEMBL7732606 | 0.88 | MEN1 (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 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 |