⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL867380 | 0.75 | — | — | |
| SCHEMBL1715624 | 0.75 | — | — | |
| SCHEMBL72963 | 0.75 | — | — | |
| SCHEMBL5365546 | 0.75 | — | — | |
| SCHEMBL51804 | 0.75 | — | — | |
| SCHEMBL4951244 | 0.75 | — | — | |
| SCHEMBL127346 | 0.72 | — | — | |
| Fluoride SCHEMBL27574021 | 0.72 | — | — | |
| SCHEMBL4495282 | 0.72 | — | — | |
| SCHEMBL270674 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1106371-C | Liquid crystal compounds having perfluoroether terminal moieties | MINNESOTA MINING & MFG (US) | 2003-04-23 | — | — | CN | disclosed |
| CN-1166823-A | Liquid crystal compounds having perfluoroether terminal portions | MINNESOTA MINING & MFG (US) | 1997-12-03 | — | — | CN | disclosed |