⚠ 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 | |
|---|---|---|---|---|
| Valine SCHEMBL2032555 | 1.00 | — | — | |
| Valine SCHEMBL2029503 | 1.00 | — | — | |
| Valine SCHEMBL22978644 | 1.00 | SLC7A5 (0.94) | — | |
| Valine SCHEMBL2785563 | 0.97 | SLC7A5 (1.00) | — | |
| Valine SCHEMBL288203 | 0.97 | SLC7A5 (1.00) | — | |
| Valine SCHEMBL31618928 | 0.97 | — | — | |
| Valine SCHEMBL41225 | 0.97 | SLC7A5 (1.00) | — | |
| Valine SCHEMBL1813972 | 0.97 | SLC7A5 (1.00) | — | |
| Valine SCHEMBL8516 | 0.97 | — | — | |
| Valine SCHEMBL8515 | 0.97 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114437248-B | Chitosan oligosaccharide nonpolar amino amide derivative and preparation method thereof | 内蒙古农业大学 | 2023-06-27 | — | — | CN | disclosed |
| CN-110054665-B | Application of cyclic pentapeptide compound in preparation of immunosuppressant drug | 湖南新汇制药股份有限公司 | 2022-08-26 | — | — | CN | disclosed |
| CN-114437248-A | Chitosan oligosaccharide nonpolar amino amide derivative and preparation method thereof | 内蒙古农业大学 | 2022-05-06 | — | — | CN | disclosed |
| CN-110054665-A | A kind of five titanium compound of ring, preparation method and its preparing the application in immune suppressant drug | 湖南新汇制药股份有限公司 | 2019-07-26 | — | — | CN | disclosed |
| CN-104364251-A | Fumigillol type compounds and methods of making and using same | ZAFGEN INC | 2015-02-18 | — | — | CN | disclosed |