⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL727649 | 0.73 | — | — | |
| SCHEMBL28024452 | 0.69 | — | — | |
| SCHEMBL20364189 | 0.67 | — | — | |
| SCHEMBL9104482 | 0.67 | — | — | |
| SCHEMBL23182767 | 0.65 | — | — | |
| SCHEMBL28218613 | 0.63 | — | — | |
| SCHEMBL8040422 | 0.63 | — | — | |
| SCHEMBL14438688 | 0.61 | — | — | |
| SCHEMBL610327 | 0.60 | — | — | |
| Bicarbonate SCHEMBL20423620 | 0.59 | FFAR3 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114609283-B | System and method for measuring decomposition products in perfluoroisobutyronitrile | 国网安徽省电力有限公司电力科学研究院 | 2023-10-27 | — | — | CN | claimed |
| CN-114609283-A | System and method for measuring decomposition products in perfluoroisobutyronitrile | 国网安徽省电力有限公司电力科学研究院 | 2022-06-10 | — | — | CN | claimed |
| CN-114609283-B | System and method for measuring decomposition products in perfluoroisobutyronitrile | 国网安徽省电力有限公司电力科学研究院 | 2023-10-27 | — | — | CN | disclosed |
| CN-114609283-A | System and method for measuring decomposition products in perfluoroisobutyronitrile | 国网安徽省电力有限公司电力科学研究院 | 2022-06-10 | — | — | CN | disclosed |