⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7750956 | 1.00 | — | — | |
| SCHEMBL7754434 | 0.98 | — | — | |
| SCHEMBL9057691 | 0.85 | — | — | |
| SCHEMBL9057789 | 0.82 | — | — | |
| SCHEMBL7754444 | 0.76 | CES1 (0.31) | — | |
| SCHEMBL9017273 | 0.75 | — | — | |
| SCHEMBL9055782 | 0.74 | — | — | |
| SCHEMBL8655679 | 0.69 | — | — | |
| SCHEMBL8546916 | 0.67 | — | — | |
| SCHEMBL4599851 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |