Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Dimethyl Sulfoxide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2835578 | 0.87 | ALDH1A1 (0.35) | — | |
| Dimethyl Sulfoxide SCHEMBL9191279 | 0.84 | — | — | |
| Dimethyl Sulfoxide SCHEMBL1608850 | 0.84 | ALDH1A1 (0.37) | — | |
| Dimethyl Sulfoxide SCHEMBL4981240 | 0.84 | ALDH1A1 (0.37) | — | |
| Dimethyl Sulfoxide SCHEMBL28230077 | 0.82 | — | — | |
| Dimethyl Sulfoxide SCHEMBL7524099 | 0.82 | ALDH1A1 (0.35) | — | |
| Acetone SCHEMBL11735665 | 0.76 | LMNA (0.43) | — | |
| Isobutyramide SCHEMBL9878873 | 0.76 | — | — | |
| Dimethyl Sulfoxide SCHEMBL11584250 | 0.75 | — | — | |
| Acetic Acid SCHEMBL28071091 | 0.73 | FFAR3 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5036064-A | Antibiotics | HOFFMANN-LA ROCHE INC. (US) | 1991-07-30 | — | — | US | disclosed |