⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL28343056 | 0.86 | — | — | |
| SCHEMBL242734 | 0.86 | — | — | |
| Cyanate SCHEMBL28268707 | 0.82 | RNPEP (0.34) | — | |
| SCHEMBL14206111 | 0.66 | — | — | |
| SCHEMBL5679030 | 0.66 | — | — | |
| SCHEMBL7635623 | 0.66 | — | — | |
| SCHEMBL3687259 | 0.65 | — | — | |
| SCHEMBL11140373 | 0.65 | — | — | |
| SCHEMBL24363633 | 0.63 | — | — | |
| SCHEMBL7582338 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103641754-B | The preparation method of medicinal D, L-2-hydroxy-4-methylthiobutyric acid metallo-chelate | 宁夏紫光天化蛋氨酸有限责任公司 | 2016-08-24 | — | — | CN | claimed |
| CN-103641754-B | The preparation method of medicinal D, L-2-hydroxy-4-methylthiobutyric acid metallo-chelate | 宁夏紫光天化蛋氨酸有限责任公司 | 2016-08-24 | — | — | CN | disclosed |