⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16281589 | 0.87 | KDM4E (0.54) | — | |
| SCHEMBL17670516 | 0.80 | TSHR (0.58) | — | |
| SCHEMBL13161354 | 0.78 | TSHR (0.56) | — | |
| SCHEMBL20942717 | 0.77 | POLB (0.39) | — | |
| SCHEMBL24244862 | 0.75 | TSHR (1.00) | — | |
| SCHEMBL917149 | 0.75 | TSHR (0.71) | — | |
| SCHEMBL423954 | 0.73 | — | — | |
| SCHEMBL17011248 | 0.72 | TSHR (0.65) | — | |
| SCHEMBL23395376 | 0.71 | — | — | |
| SCHEMBL24907147 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022063209-A1 | FUNCTIONALIZED DIBLOCK COPOLYMER, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 亭创生物科技(上海)有限公司 | 2022-03-31 | — | — | WO | disclosed |