⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2175 | 0.94 | — | — | |
| SCHEMBL14127278 | 0.94 | — | — | |
| SCHEMBL4051713 | 0.94 | TSHR (0.50) | — | |
| Bromide SCHEMBL7715177 | 0.88 | — | — | |
| SCHEMBL15770191 | 0.88 | TSHR (0.46) | — | |
| Water SCHEMBL31174562 | 0.82 | — | — | |
| SCHEMBL8484 | 0.80 | — | — | |
| SCHEMBL8431581 | 0.75 | TSHR (0.46) | — | |
| SCHEMBL10962222 | 0.75 | TSHR (0.46) | — | |
| SCHEMBL8147317 | 0.75 | TSHR (0.46) | — |
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-116212960-B | Aryloxy cyclic ether skeleton metal complex catalyst and preparation method and application thereof | 万华化学集团股份有限公司 | 2025-02-18 | — | — | CN | disclosed |