⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11800150 | 0.80 | — | — | |
| SCHEMBL11796069 | 0.80 | — | — | |
| SCHEMBL28441386 | 0.78 | — | — | |
| SCHEMBL4131162 | 0.71 | — | — | |
| SCHEMBL3462724 | 0.67 | — | — | |
| SCHEMBL727620 | 0.63 | — | — | |
| SCHEMBL424207 | 0.63 | — | — | |
| SCHEMBL11882827 | 0.62 | — | — | |
| SCHEMBL6412580 | 0.62 | — | — | |
| SCHEMBL2177147 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3447042-B1 | MANUFACTURING METHOD OF 1,2-DICHLOROHEXAFLUOROCYCLOPENTENE | BEIJING YUJI SCIENCE AND TECH CO LTD (CN) | 2021-02-24 | — | — | EP | claimed |
| US-5146018-A | Phenium catalyst | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-09-08 | — | — | US | claimed |