⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2440325 | 1.00 | — | — | |
| SCHEMBL252105 | 0.80 | — | — | |
| SCHEMBL2322986 | 0.77 | PKM (0.34) | — | |
| SCHEMBL333516 | 0.77 | PKM (0.34) | — | |
| SCHEMBL333515 | 0.77 | PKM (0.34) | — | |
| SCHEMBL3634166 | 0.76 | — | — | |
| SCHEMBL3634168 | 0.76 | — | — | |
| SCHEMBL79202 | 0.73 | — | — | |
| SCHEMBL14876428 | 0.72 | — | — | |
| SCHEMBL333324 | 0.71 | — | — |
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-2008027516-A1 | LACTONES FOR FLUOROOLEFINS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-03-06 | — | — | WO | claimed |
| US-8012368-B2 | Compositions comprising fluoroolefins and uses thereof | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-09-06 | — | — | US | disclosed |