⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL857867 | 0.85 | — | — | |
| SCHEMBL2152514 | 0.76 | — | — | |
| SCHEMBL19331159 | 0.72 | — | — | |
| SCHEMBL14957892 | 0.72 | — | — | |
| SCHEMBL160347 | 0.71 | — | — | |
| SCHEMBL1589134 | 0.69 | — | — | |
| SCHEMBL4116018 | 0.68 | TSHR (0.31) | — | |
| SCHEMBL4621976 | 0.67 | — | — | |
| SCHEMBL9345825 | 0.67 | — | — | |
| SCHEMBL9800682 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6255536-B1 | FLOURINATING A 2-ALKOXY PROPIONATE MOIETY THAT MAY BE PARTIALLY HALOGENATED TO PROVIDE A PERFLUORINATED INTERMEDIATE, CONVERTING TO ITS ACID METAL SALT, AND THEN TO ITS PERFLUOROVINYL ETHER | DYNEON LLC | 2001-07-03 | — | — | US | disclosed |