⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9753108 | 1.00 | — | — | |
| SCHEMBL17591593 | 0.75 | — | — | |
| SCHEMBL7596882 | 0.72 | — | — | |
| SCHEMBL7596889 | 0.72 | — | — | |
| SCHEMBL2120415 | 0.72 | — | — | |
| SCHEMBL243519 | 0.72 | — | — | |
| SCHEMBL15859135 | 0.69 | — | — | |
| SCHEMBL8135004 | 0.69 | — | — | |
| SCHEMBL14890131 | 0.69 | — | — | |
| SCHEMBL27484162 | 0.69 | — | — |
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 |