⚠ 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 | 0.77 | — | — | |
| SCHEMBL28986982 | 0.76 | — | — | |
| SCHEMBL10807117 | 0.76 | — | — | |
| SCHEMBL381512 | 0.74 | — | — | |
| SCHEMBL1501596 | 0.74 | — | — | |
| SCHEMBL4301113 | 0.74 | — | — | |
| SCHEMBL11108272 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL27490385 | 0.74 | — | — | |
| Iodide SCHEMBL12078163 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL28401151 | 0.72 | ALDH1A1 (0.45) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0601195-B1 | PROCESS FOR PRODUCING 2-HYDROXY-4-METHYLTHIOBUTANOIC ACID | DAICEL CHEM (JP) | 1996-08-28 | — | — | EP | claimed |