⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6236416 | 0.72 | — | — | |
| SCHEMBL49750 | 0.64 | TSHR (0.31) | — | |
| SCHEMBL6284229 | 0.60 | — | — | |
| SCHEMBL6236418 | 0.58 | GAA (0.30) | — | |
| SCHEMBL11389982 | 0.57 | — | — | |
| SCHEMBL8598753 | 0.57 | CYP4F2 (0.32) | — | |
| SCHEMBL6236205 | 0.57 | — | — | |
| SCHEMBL4802283 | 0.56 | — | — | |
| SCHEMBL28862000 | 0.55 | TSHR (0.31) | — | |
| SCHEMBL14458167 | 0.55 | TSHR (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040167303-A1 | Multifunctional alkoxyamines based on polyalkylpiperidines, polyalkylpiperazinones and polyalkylmorpholinones and their use as polymerization regulators/initiators | CIBA SPECIALTY CHEMICALS CORP. | 2004-08-26 | — | — | US | disclosed |