⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21626186 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL21874828 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL28455000 | 0.67 | — | — | |
| SCHEMBL464831 | 0.67 | — | — | |
| SCHEMBL8526435 | 0.66 | ATM (0.33) | — | |
| SCHEMBL3656676 | 0.66 | — | — | |
| SCHEMBL7936180 | 0.63 | TSHR (0.32) | — | |
| SCHEMBL7936185 | 0.63 | TSHR (0.32) | — | |
| SCHEMBL7688641 | 0.62 | — | — | |
| SCHEMBL7691623 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0906937-A1 | Graft copolymer obtained by free-radical polymerisation with stable free-radicals, its preparation and uses | ELF ATOCHEM S.A. (FR) | 1999-04-07 | — | — | EP | disclosed |