⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5574864 | 0.79 | — | — | |
| SCHEMBL3207673 | 0.71 | — | — | |
| SCHEMBL17341699 | 0.70 | — | — | |
| SCHEMBL5570837 | 0.70 | — | — | |
| SCHEMBL11228473 | 0.68 | — | — | |
| SCHEMBL502500 | 0.68 | — | — | |
| SCHEMBL28757665 | 0.68 | CA2 (0.32) | — | |
| SCHEMBL10373498 | 0.68 | — | — | |
| Vinylsulfonic Acid SCHEMBL16079 | 0.66 | — | — | |
| Vinylsulfonic Acid SCHEMBL31630836 | 0.66 | CA5A (0.42) | — |
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-2067770-B1 | PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER | WAKO PURE CHEM IND LTD (JP) | 2017-04-12 | — | — | EP | disclosed |
| US-8269038-B2 | Process for production of sulfonic acid ester | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2012-09-18 | — | — | US | disclosed |
| US-20100041916-A1 | PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2010-02-18 | — | — | US | disclosed |
| EP-2067770-A1 | PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER | Wako Pure Chemical Industries, Ltd. (JP) | 2009-06-10 | — | — | EP | disclosed |