⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7755402 | 0.91 | CA2 (0.32) | — | |
| SCHEMBL7750862 | 0.91 | CA2 (0.32) | — | |
| SCHEMBL7756854 | 0.90 | CA2 (0.34) | — | |
| SCHEMBL7750811 | 0.90 | CA2 (0.34) | — | |
| SCHEMBL7750883 | 0.90 | CA2 (0.34) | — | |
| SCHEMBL7750814 | 0.90 | CA2 (0.34) | — | |
| SCHEMBL7754478 | 0.90 | CA2 (0.34) | — | |
| SCHEMBL7750705 | 0.90 | CA2 (0.34) | — | |
| SCHEMBL8768979 | 0.87 | CA2 (0.33) | — | |
| SCHEMBL7750919 | 0.86 | CA2 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0792255-B1 | LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS | MINNESOTA MINING & MFG (US) | 2001-02-28 | — | — | EP | disclosed |
| EP-0792255-A1 | LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1997-09-03 | — | — | EP | disclosed |
| WO-1996015092-A1 | LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1996-05-23 | — | — | WO | disclosed |
| US-5482650-A | Liquid crystal compounds having perfluoroether terminal portions | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1996-01-09 | — | — | US | disclosed |