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 | |
|---|---|---|---|---|
| Dimethyl Sulfoxide SCHEMBL1128520 | 1.00 | — | — | |
| Dimethyl Sulfoxide SCHEMBL9236588 | 0.96 | — | — | |
| Dimethyl Sulfoxide SCHEMBL6470105 | 0.96 | — | — | |
| SCHEMBL6667401 | 0.81 | — | — | |
| Butane SCHEMBL6004324 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL1736341 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL124190 | 0.78 | — | — | |
| SCHEMBL30 | 0.78 | — | — | |
| Butane SCHEMBL16013445 | 0.75 | PLA2G1B (0.31) | — | |
| SCHEMBL28165349 | 0.75 | MEN1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0830351-A1 | PROCESS FOR PREPARING SUBSTITUTED POLYAZAMACROCYCLES | MONSANTO COMPANY (US) | 1998-03-25 | — | — | EP | disclosed |
| WO-1996040658-A1 | PROCESS FOR PREPARING SUBSTITUTED POLYAZAMACROCYCLES | MONSANTO COMPANY (US) | 1996-12-19 | — | — | WO | disclosed |