⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL43238 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL6268152 | 0.90 | — | — | |
| Lithium Ion SCHEMBL1743232 | 0.90 | — | — | |
| SCHEMBL24017110 | 0.84 | ALDH1A1 (0.40) | — | |
| SCHEMBL5656528 | 0.84 | ALDH1A1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL22498201 | 0.80 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL22498200 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL27968287 | 0.80 | ALDH1A1 (0.36) | — | |
| Ethylamine SCHEMBL27934629 | 0.79 | ALDH1A1 (0.44) | — | |
| SCHEMBL17996828 | 0.76 | — | — |
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 |