⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL84504 | 0.97 | — | — | |
| SCHEMBL3580305 | 0.84 | APP (0.44) | — | |
| SCHEMBL13316212 | 0.81 | — | — | |
| SCHEMBL3458287 | 0.79 | APP (0.44) | — | |
| SCHEMBL751071 | 0.77 | LMNA (0.43) | — | |
| 2,2'-Dithiodiethanesulfonic Acid SCHEMBL7864315 | 0.77 | PTGS1 (0.43) | — | |
| 2,2'-Dithiodiethanesulfonic Acid SCHEMBL747638 | 0.77 | PTGS1 (0.43) | — | |
| SCHEMBL8459073 | 0.74 | TSHR (0.38) | — | |
| 2,2'-Dithiodiethanesulfonic Acid SCHEMBL773704 | 0.73 | PTGS1 (0.45) | — | |
| SCHEMBL13863427 | 0.73 | LMNA (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934261-A1 | PROCESS FOR PRODUCING MERCAPTOALKANESULFONATES AND PHOSPHONATES AND DERIVATIVES THEREOF | BIONUMERIK PHARMACEUTICALS, INC. (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998014426-A1 | PROCESS FOR PRODUCING MERCAPTOALKANESULFONATES AND PHOSPHONATES AND DERIVATIVES THEREOF | BIONUMERIK PHARMACEUTICALS, INC. (US) | 1998-04-09 | — | — | WO | disclosed |