⚠ 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 | |
|---|---|---|---|---|
| Chloroform SCHEMBL29158199 | 0.78 | — | — | |
| SCHEMBL5529942 | 0.75 | — | — | |
| SCHEMBL11547418 | 0.73 | — | — | |
| SCHEMBL3917729 | 0.73 | — | — | |
| SCHEMBL3910204 | 0.73 | — | — | |
| SCHEMBL152116 | 0.73 | — | — | |
| SCHEMBL186198 | 0.73 | — | — | |
| SCHEMBL11237583 | 0.73 | — | — | |
| SCHEMBL22893330 | 0.73 | — | — | |
| SCHEMBL3917358 | 0.73 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4987250-A | Synthesis of hydroxy sulfonic acids | UNION OIL COMPANY OF CALIFORNIA (US) | 1991-01-22 | — | — | US | claimed |
| US-4910330-A | Synthesis of sulfonic acids and carboxylic acid ester derivatives thereof | UNION OIL COMPANY OF CALIFORNIA (US) | 1990-03-20 | — | — | US | claimed |
| EP-2576520-A1 | RADIOLABELED COMPOUNDS AND METHODS THEREOF | GE Healthcare UK Limited (GB) | 2013-04-10 | — | — | EP | disclosed |
| WO-2011150183-A1 | RADIOLABELED COMPOUNDS AND METHODS THEREOF | GE HEALTHCARE LIMITED (GB) | 2011-12-01 | — | — | WO | disclosed |
| US-4987250-A | Synthesis of hydroxy sulfonic acids | UNION OIL COMPANY OF CALIFORNIA (US) | 1991-01-22 | — | — | US | disclosed |
| US-4910330-A | Synthesis of sulfonic acids and carboxylic acid ester derivatives thereof | UNION OIL COMPANY OF CALIFORNIA (US) | 1990-03-20 | — | — | US | disclosed |
| EP-0169254-A1 | Process for purification of 1,2-unsaturated carboxylic acids and/or esters thereof | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1986-01-29 | — | — | EP | disclosed |