⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL33474 | 0.86 | TSHR (0.31) | — | |
| SCHEMBL29117648 | 0.85 | — | — | |
| SCHEMBL31115228 | 0.83 | TSHR (0.31) | — | |
| SCHEMBL1069245 | 0.81 | TSHR (0.34) | — | |
| SCHEMBL30074790 | 0.74 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL2775101 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL8736061 | 0.72 | KEAP1 (0.32) | — | |
| SCHEMBL8736057 | 0.72 | KEAP1 (0.32) | — | |
| SCHEMBL5689365 | 0.68 | — | — | |
| SCHEMBL28786170 | 0.68 | GSTP1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114670517-B | Encapsulating material for organic electronic device and organic electronic device comprising same | 利诺士尖端材料有限公司 | 2024-01-26 | — | — | CN | disclosed |
| CN-114670517-A | Encapsulating material for organic electronic device and organic electronic device comprising same | 利诺士尖端材料有限公司 | 2022-06-28 | — | — | CN | disclosed |