⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30586144 | 0.89 | THRA (0.35) | — | |
| SCHEMBL29134018 | 0.84 | THRA (0.44) | — | |
| SCHEMBL30586149 | 0.81 | P2RX7 (0.38) | — | |
| SCHEMBL30586141 | 0.80 | P2RX7 (0.39) | — | |
| SCHEMBL30586153 | 0.75 | THRA (0.36) | — | |
| SCHEMBL30586137 | 0.74 | THRA (0.35) | — | |
| SCHEMBL30586140 | 0.74 | THRA (0.35) | — | |
| SCHEMBL30586150 | 0.74 | THRA (0.38) | — | |
| SCHEMBL29134021 | 0.73 | THRA (0.52) | — | |
| SCHEMBL29134019 | 0.72 | THRA (0.51) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116836158-A | Compound serving as thyroid hormone beta receptor agonist and application thereof | 凯思凯迪（上海）医药科技有限公司 | 2023-10-03 | — | — | CN | disclosed |