⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7921533 | 0.81 | TET2 (0.31) | — | |
| SCHEMBL7933499 | 0.75 | — | — | |
| SCHEMBL7933409 | 0.74 | — | — | |
| SCHEMBL8532699 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL7927488 | 0.72 | — | — | |
| SCHEMBL9388116 | 0.72 | TSHR (0.39) | — | |
| SCHEMBL7930043 | 0.71 | — | — | |
| SCHEMBL7930051 | 0.68 | FFAR1 (0.30) | — | |
| SCHEMBL2966186 | 0.67 | ALDH1A1 (0.41) | — | |
| SCHEMBL6453968 | 0.65 | TSHR (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0850929-B1 | Novel bis(mono- and diperoxy-oxalates) derived from dihydroperoxides and alkyl and alkylperoxy halooxalates | ATOFINA CHEM INC (US) | 2001-06-27 | — | — | EP | disclosed |
| US-5837782-A | POLYMERIZATION CATALYST | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1998-11-17 | — | — | US | disclosed |
| EP-0850929-A1 | Novel bis(mono- and diperoxy-oxalates) derived from dihydroperoxides and alkyl and alkylperoxy halooxalates | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1998-07-01 | — | — | EP | disclosed |