⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11734286 | 0.79 | CYP2C19 (0.30) | — | |
| SCHEMBL11734291 | 0.79 | CYP2C19 (0.30) | — | |
| SCHEMBL11487717 | 0.73 | — | — | |
| SCHEMBL11487720 | 0.73 | — | — | |
| SCHEMBL11660268 | 0.72 | — | — | |
| SCHEMBL11627554 | 0.68 | — | — | |
| SCHEMBL11717969 | 0.68 | — | — | |
| SCHEMBL11717975 | 0.68 | — | — | |
| SCHEMBL11627625 | 0.64 | — | — | |
| Acetone SCHEMBL11878982 | 0.62 | TSHR (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4069377-A | Polymerization of ethylenically unsaturated monomers employing secondary-aliphatic α-substituted azoalkanes | PENNWALT CORPORATION | 1978-01-17 | — | — | US | disclosed |
| US-4025502-A | POLYMERIZATION CATALYSTS, CURING AGENTS | PENNWALT CORPORATION (US) | 1977-05-24 | — | — | US | disclosed |