⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7731302 | 1.00 | — | — | |
| SCHEMBL7731300 | 1.00 | — | — | |
| SCHEMBL7731305 | 1.00 | — | — | |
| SCHEMBL7728979 | 0.91 | — | — | |
| SCHEMBL7730444 | 0.91 | — | — | |
| SCHEMBL7728971 | 0.91 | — | — | |
| SCHEMBL7730449 | 0.91 | — | — | |
| SCHEMBL7728973 | 0.91 | — | — | |
| SCHEMBL7730442 | 0.91 | — | — | |
| SCHEMBL7728976 | 0.91 | — | — |
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 2 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 |
| EP-0786445-A1 | DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION | CHISSO CORPORATION (JP) | 1997-07-30 | — | — | EP | disclosed |