⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3958685 | 0.82 | THRB (0.32) | — | |
| SCHEMBL29738296 | 0.76 | — | — | |
| SCHEMBL10826119 | 0.73 | THRB (0.33) | — | |
| SCHEMBL28394110 | 0.73 | THRB (0.33) | — | |
| SCHEMBL1608943 | 0.72 | THRB (0.30) | — | |
| SCHEMBL2325979 | 0.72 | — | — | |
| SCHEMBL116415 | 0.70 | — | — | |
| SCHEMBL982803 | 0.67 | THRB (0.32) | — | |
| SCHEMBL28941635 | 0.67 | THRB (0.52) | — | |
| SCHEMBL21816703 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4469641-A | INTERMEDIATES FOR PERFLUOROISOPROPYLKETOCARBOXYLIC ACID FLUORIDES | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-09-04 | — | — | US | disclosed |
| EP-0047947-B1 | OMEGA-FLUOROSULPHATO-PERFLUORO-(2-METHYLALKANE-3-ONES) AND PROCESS FOR THE PRODUCTION OF PERFLUOROISOPROPYL-KETO-CARBOXYLIC-ACID FLUORIDES FROM THE FIRST MENTIONED COMPOUNDS | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-03-14 | — | — | EP | disclosed |
| EP-0047947-A1 | Omega-fluorosulphato-perfluoro-(2-methylalkane-3-ones) and process for the production of perfluoroisopropyl-keto-carboxylic-acid fluorides from the first mentioned compounds | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-03-24 | — | — | EP | disclosed |