⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3205178 | 0.97 | — | — | |
| SCHEMBL3195340 | 0.92 | — | — | |
| SCHEMBL576044 | 0.86 | — | — | |
| 1,5-Pentanediol SCHEMBL10911795 | 0.85 | EPHX1 (0.31) | — | |
| 1,4-Butanediol SCHEMBL10912017 | 0.84 | — | — | |
| 1,3-Propanediol SCHEMBL10912404 | 0.80 | — | — | |
| SCHEMBL14118908 | 0.75 | — | — | |
| SCHEMBL575598 | 0.75 | — | — | |
| SCHEMBL1935626 | 0.72 | — | — | |
| SCHEMBL17973352 | 0.70 | — | — |
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 9 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 |
| US-4950768-A | ANTICARCINOGENIC AGENTS | CRONYN MARSHALL W (US) | 1990-08-21 | — | — | US | disclosed |
| EP-0168478-B1 | CANCER CHEMOTHERAPEUTIC CYCLIC AND ACYCLIC DISULFONIC ESTER COMPOUNDS, METHOD OF USE THEREFOR, AND INTERMEDIATES | CRONYN, Marshall W. (US) | 1989-04-05 | — | — | EP | disclosed |
| EP-0168478-A4 | CANCER CHEMOTHERAPEUTIC CYCLIC AND ACYCLIC DISULFONIC ESTER COMPOUNDS, METHOD OF USE THEREFOR, AND INTERMEDIATES. | CRONYN MARSHALL W | 1986-11-07 | — | — | EP | disclosed |
| EP-0168478-A1 | CANCER CHEMOTHERAPEUTIC CYCLIC AND ACYCLIC DISULFONIC ESTER COMPOUNDS, METHOD OF USE THEREFOR, AND INTERMEDIATES. | CRONYN MARSHALL W | 1986-01-22 | — | — | EP | disclosed |
| WO-1985003075-A1 | CANCER CHEMOTHERAPEUTIC CYCLIC AND ACYCLIC DISULFONIC ESTER COMPOUNDS, METHOD OF USE THEREFOR, AND INTERMEDIATES | CRONYN MARSHALL W | 1985-07-18 | — | — | WO | disclosed |