⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30912993 | 0.88 | — | — | |
| SCHEMBL634628 | 0.77 | — | — | |
| SCHEMBL29170949 | 0.74 | — | — | |
| SCHEMBL27361461 | 0.74 | — | — | |
| SCHEMBL8522994 | 0.71 | — | — | |
| Sulfuric Acid SCHEMBL2252832 | 0.71 | CA5A (0.35) | — | |
| SCHEMBL27561919 | 0.69 | — | — | |
| SCHEMBL11826553 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL7559376 | 0.67 | — | — | |
| Acrylic Acid SCHEMBL28311329 | 0.67 | LMNA (0.53) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2011791-B1 | PROCESS FOR PRODUCTION OF METHYLENE DISULFONATE COMPOUND | SUMITOMO SEIKA CHEMICALS (JP) | 2012-06-27 | — | — | EP | claimed |
| CN-103080099-A | Method for producing a methylene disulfonate compound | SUMITOMO SEIKA CHEMICALS | 2013-05-01 | — | — | CN | disclosed |
| CN-101426776-B | Process for production of methylene disulfonate compound | SUMITOMO SEIKA CHEMICALS | 2012-11-07 | — | — | CN | disclosed |
| CN-101426776-A | Process for production of methylene disulfonate compound | SUMITOMO SEIKA CHEMICALS (JP) | 2009-05-06 | — | — | CN | disclosed |