⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7149289 | 0.97 | — | — | |
| Iodide SCHEMBL12078163 | 0.92 | TSHR (0.30) | — | |
| SCHEMBL8995869 | 0.74 | — | — | |
| SCHEMBL2926109 | 0.74 | — | — | |
| SCHEMBL7213467 | 0.71 | — | — | |
| SCHEMBL10776150 | 0.71 | HMGCR (0.33) | — | |
| SCHEMBL5682492 | 0.69 | — | — | |
| SCHEMBL4447082 | 0.69 | — | — | |
| SCHEMBL28427404 | 0.69 | — | — | |
| SCHEMBL79613 | 0.67 | — | — |
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-1181204-C | Method for preparing 2-hydroxy 4-methylthio butyric acid using nitrilase | ����-���ʿ˶���Ӫ���ع�˾ | 2004-12-22 | — | — | CN | disclosed |
| CN-1234074-A | Process for preparing 2-hydroxy-4-methylthiobutyric acid using nitrilase | RHONE POULENC NUTRITION ANIMAL (FR) | 1999-11-03 | — | — | CN | disclosed |