⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1356689 | 0.85 | TSHR (0.41) | — | |
| SCHEMBL8398107 | 0.80 | TSHR (0.37) | — | |
| SCHEMBL9058082 | 0.80 | ALDH1A1 (0.43) | — | |
| SCHEMBL8397022 | 0.79 | LMNA (0.44) | — | |
| SCHEMBL8518654 | 0.78 | EPHX2 (0.30) | — | |
| SCHEMBL29259745 | 0.76 | TSHR (0.42) | — | |
| SCHEMBL1356945 | 0.76 | TSHR (0.42) | — | |
| SCHEMBL3267819 | 0.72 | TSHR (0.47) | — | |
| SCHEMBL14340975 | 0.72 | PRKCA (0.38) | — | |
| SCHEMBL8398198 | 0.71 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5973094-A | Functional polymers | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 1999-10-26 | — | — | US | disclosed |
| EP-0794199-A2 | Novel functional polymers | WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) | 1997-09-10 | — | — | EP | disclosed |