⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28105230 | 0.81 | — | — | |
| SCHEMBL690502 | 0.76 | — | — | |
| SCHEMBL27179236 | 0.73 | — | — | |
| SCHEMBL12256774 | 0.70 | — | — | |
| SCHEMBL14946882 | 0.70 | — | — | |
| SCHEMBL690723 | 0.70 | — | — | |
| SCHEMBL35391 | 0.70 | — | — | |
| SCHEMBL6177017 | 0.70 | — | — | |
| SCHEMBL28301740 | 0.70 | TDP1 (0.50) | — | |
| SCHEMBL30250687 | 0.68 | — | — |
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-0681567-B1 | DIACYL PEROXIDE ESTERS | PEROXID CHEMIE GMBH (DE) | 1998-04-22 | — | — | EP | claimed |
| US-5523466-A | PEROXIDATION OF THE CORRESPONDING MONOVINYL ESTER OF A DICARBOXYLIC ACID | PEROXID CHEMIE GMBH | 1996-06-04 | — | — | US | claimed |
| US-5523466-A | PEROXIDATION OF THE CORRESPONDING MONOVINYL ESTER OF A DICARBOXYLIC ACID | PEROXID CHEMIE GMBH | 1996-06-04 | — | — | US | disclosed |