⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7066888 | 0.90 | ELANE (0.30) | — | |
| SCHEMBL6031954 | 0.89 | HTR2B (0.32) | — | |
| SCHEMBL7073820 | 0.87 | ELANE (0.30) | — | |
| SCHEMBL7070452 | 0.84 | — | — | |
| SCHEMBL6884754 | 0.81 | ELANE (0.30) | — | |
| SCHEMBL7070810 | 0.80 | — | — | |
| SCHEMBL7069003 | 0.80 | ELANE (0.32) | — | |
| SCHEMBL7071191 | 0.79 | ALDH1A1 (0.44) | — | |
| SCHEMBL19520000 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL7071090 | 0.75 | OPRM1 (0.33) | — |
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-6664353-B2 | Compounds providing stable free radical-mediated polymerization processes which yield polymers having low polydispersity at enhanced rates of polymerization and enhanced monomer to polymer conversions | CIBA SPECIALTY CHEMICALS CORPORATION | 2003-12-16 | — | — | US | disclosed |
| US-20030125494-A1 | Heterocyclic alkoxyamines as regulators in controlled radical polymerization processes | NESVADBA PETER (CH) | 2003-07-03 | — | — | US | disclosed |
| US-6479608-B1 | Heterocyclic alkoxyamines as regulators in controlled radical polymerization processes | CIBA SPECIALTY CHEMICALS CORPORATION | 2002-11-12 | — | — | US | disclosed |