⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4260317 | 1.00 | — | — | |
| SCHEMBL11137017 | 1.00 | — | — | |
| SCHEMBL7519417 | 1.00 | — | — | |
| SCHEMBL15700676 | 1.00 | — | — | |
| SCHEMBL1316723 | 1.00 | — | — | |
| SCHEMBL5591446 | 1.00 | — | — | |
| SCHEMBL7517135 | 1.00 | — | — | |
| SCHEMBL28762866 | 0.97 | — | — | |
| Ethylene Glycol SCHEMBL2175988 | 0.89 | SUCNR1 (0.48) | — | |
| Oxirane SCHEMBL9064165 | 0.89 | SUCNR1 (0.48) | — |
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-116904530-A | Biological preparation method of atorvastatin calcium intermediate | 江苏福瑞康泰药业有限公司 | 2023-10-20 | — | — | CN | disclosed |
| CN-115894290-A | Preparation method of atorvastatin calcium intermediate (R) - (-) -4-cyano-3-hydroxy ethyl butyrate | 宿迁阿尔法科技有限公司 | 2023-04-04 | — | — | CN | disclosed |
| CN-102295579-B | Synthesis process for (R)-4-cyano-3-hydroxybutyric acid ethyl ester | ANQING JINQUAN PHARM CO LTD | 2014-05-21 | — | — | CN | disclosed |
| CN-102295579-A | Synthesis process for (R)-4-cyano-3-hydroxybutyric acid ethyl ester | ANQING JINQUAN PHARM CO LTD | 2011-12-28 | — | — | CN | disclosed |