⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3501078 | 0.77 | — | — | |
| SCHEMBL11507466 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL1343935 | 0.67 | — | — | |
| SCHEMBL7515259 | 0.64 | — | — | |
| SCHEMBL7518750 | 0.64 | — | — | |
| SCHEMBL7514639 | 0.64 | — | — | |
| SCHEMBL7512780 | 0.64 | — | — | |
| SCHEMBL7524037 | 0.64 | — | — | |
| SCHEMBL7922362 | 0.64 | — | — | |
| SCHEMBL1180554 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104230751-B | A kind of synthetic method of 2,4,4,4-tetrachloro butyronitrile | ZHEJIANG ZHONGXIN FLUORINE MATERIALS Co.,Ltd. (CN) | 2016-05-25 | — | — | CN | claimed |
| CN-104230752-B | A kind of preparation method of 2,4,4,4-tetrachloro butyronitrile | ZHEJIANG ZHONGXIN FLUORINE MATERIALS Co.,Ltd. (CN) | 2016-05-25 | — | — | CN | claimed |
| CN-109535029-B | Synthetic method of 2,4,4, 4-tetrachlorobutyronitrile | 湖南师范大学 | 2020-05-26 | — | — | CN | disclosed |
| CN-109535029-A | A kind of synthetic method of tetra- chlorobutyronitrile of 2,4,4,4- | 湖南师范大学 | 2019-03-29 | — | — | CN | disclosed |
| CN-104230751-B | A kind of synthetic method of 2,4,4,4-tetrachloro butyronitrile | ZHEJIANG ZHONGXIN FLUORINE MATERIALS Co.,Ltd. (CN) | 2016-05-25 | — | — | CN | disclosed |
| CN-104230752-B | A kind of preparation method of 2,4,4,4-tetrachloro butyronitrile | ZHEJIANG ZHONGXIN FLUORINE MATERIALS Co.,Ltd. (CN) | 2016-05-25 | — | — | CN | disclosed |