⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6416749 | 0.86 | — | — | |
| Vinyl Ether SCHEMBL9774367 | 0.85 | — | — | |
| SCHEMBL16938059 | 0.85 | — | — | |
| SCHEMBL29376865 | 0.85 | — | — | |
| SCHEMBL14780721 | 0.85 | — | — | |
| SCHEMBL29376872 | 0.83 | — | — | |
| SCHEMBL2568751 | 0.83 | — | — | |
| SCHEMBL4290069 | 0.83 | — | — | |
| SCHEMBL13555353 | 0.83 | — | — | |
| SCHEMBL29489395 | 0.81 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5023362-A | Alkyl perfluoro(2-methyl-5-oxo-3-oxahexanoate) | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-06-11 | — | — | US | disclosed |
| US-4786442-A | Alkyl perfluoro(2-methyl-5-oxo-3-oxahexanoate) | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1988-11-22 | — | — | US | disclosed |
| EP-0062120-B1 | ALKYL PERFLUORO(2-METHYL-5-OXO-3-OXAHEXANOATES) AND DERIVATIVES THEREOF | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1985-07-24 | — | — | EP | disclosed |
| EP-0062120-A1 | Alkyl perfluoro(2-methyl-5-oxo-3-oxahexanoates) and derivatives thereof | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-10-13 | — | — | EP | disclosed |
| US-4335255-A | Alkyl perfluoro (2-methyl-5-oxo-3-oxahexanoate) | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-06-15 | — | — | US | disclosed |