⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14050341 | 0.76 | — | — | |
| SCHEMBL6971917 | 0.71 | — | — | |
| SCHEMBL7027411 | 0.71 | — | — | |
| SCHEMBL370514 | 0.69 | — | — | |
| SCHEMBL726122 | 0.67 | — | — | |
| SCHEMBL11653623 | 0.67 | — | — | |
| SCHEMBL7746083 | 0.67 | — | — | |
| SCHEMBL11653621 | 0.67 | — | — | |
| SCHEMBL7746084 | 0.67 | — | — | |
| SCHEMBL726123 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1991009001-A1 | 1,1,2-TRIFLUORO-6-IODO-1-HEXENE, 1,1,2-TRIFLUORO-1,5-HEXADIENE, AND PROCESSES THEREFOR | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-06-27 | — | — | WO | disclosed |
| US-5015790-A | 1,1,2-trifluoro-6-iodo-1-hexene, 1,1,2-trifluoro-1,5-hexadiene, and processes therefore | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-05-14 | — | — | US | disclosed |