⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8545324 | 0.94 | CA1 (0.30) | — | |
| SCHEMBL7755228 | 0.94 | CA1 (0.30) | — | |
| SCHEMBL7756831 | 0.93 | — | — | |
| SCHEMBL7750824 | 0.89 | DNM1 (0.31) | — | |
| SCHEMBL9057034 | 0.79 | — | — | |
| SCHEMBL8769287 | 0.79 | CA1 (0.37) | — | |
| SCHEMBL7754444 | 0.76 | CES1 (0.31) | — | |
| SCHEMBL8662128 | 0.76 | CA2 (0.34) | — | |
| SCHEMBL8769283 | 0.74 | — | — | |
| SCHEMBL7754051 | 0.74 | CA1 (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 |