⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26696006 | 0.79 | — | — | |
| SCHEMBL12810377 | 0.76 | TSHR (0.50) | — | |
| SCHEMBL665307 | 0.74 | — | — | |
| SCHEMBL6208813 | 0.72 | — | — | |
| SCHEMBL27418586 | 0.72 | — | — | |
| SCHEMBL17935654 | 0.72 | TSHR (0.40) | — | |
| SCHEMBL4799981 | 0.72 | — | — | |
| SCHEMBL1991127 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL17935616 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL14041050 | 0.70 | TSHR (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118598774-B | Cyanoethyl ether compound and preparation method and application thereof | 上海如鲲新材料股份有限公司 | 2024-11-26 | — | — | CN | disclosed |
| CN-118598774-A | Cyanoethyl ether compound and preparation method and application thereof | 上海如鲲新材料股份有限公司 | 2024-09-06 | — | — | CN | disclosed |