⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28012302 | 0.97 | — | — | |
| SCHEMBL29157041 | 0.81 | SLC22A6 (0.42) | — | |
| SCHEMBL27623038 | 0.77 | — | — | |
| SCHEMBL30842650 | 0.75 | SLC22A6 (0.42) | — | |
| SCHEMBL11121098 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL931216 | 0.73 | — | — | |
| SCHEMBL11823697 | 0.73 | SLC22A6 (0.40) | — | |
| SCHEMBL29205706 | 0.73 | — | — | |
| SCHEMBL28662864 | 0.71 | — | — | |
| SCHEMBL27860701 | 0.71 | PTGS1 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0263556-B1 | A process for the preparation of saline derivatives of mercaptoethansulfonic acid | SCHERING SPA (IT) | 1994-01-05 | — | — | EP | disclosed |
| US-4939291-A | Process for the preparation of mercaptoethansulfonic acid and sodium salt thereof | SCHERING SPA (IT) | 1990-07-03 | — | — | US | disclosed |
| EP-0263556-A2 | A process for the preparation of saline derivatives of mercaptoethansulfonic acid | Schering Spa (IT) | 1988-04-13 | — | — | EP | disclosed |