⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21602891 | 1.00 | — | — | |
| SCHEMBL14302147 | 0.79 | — | — | |
| SCHEMBL5406350 | 0.73 | — | — | |
| SCHEMBL8053010 | 0.73 | — | — | |
| SCHEMBL8053004 | 0.73 | — | — | |
| SCHEMBL16492659 | 0.71 | — | — | |
| SCHEMBL111006 | 0.71 | — | — | |
| SCHEMBL11421439 | 0.71 | — | — | |
| SCHEMBL1760665 | 0.71 | — | — | |
| SCHEMBL111007 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113548937-A | Continuous preparation method of high-purity perfluoro-2, 4-dimethyl-3-heptene | 浙江蓝天环保高科技股份有限公司 | 2021-10-26 | — | — | CN | disclosed |