⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21845035 | 0.85 | TSHR (0.32) | — | |
| SCHEMBL18607377 | 0.85 | — | — | |
| SCHEMBL18413403 | 0.83 | — | — | |
| SCHEMBL18923942 | 0.83 | — | — | |
| SCHEMBL19723390 | 0.79 | — | — | |
| SCHEMBL20646726 | 0.78 | — | — | |
| SCHEMBL21307660 | 0.78 | — | — | |
| SCHEMBL5936821 | 0.78 | — | — | |
| SCHEMBL13450488 | 0.78 | — | — | |
| SCHEMBL5936822 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9673468-B2 | Polymer electrolyte material, polymer electrolyte molded product using the polymer electrolyte material and method for manufacturing the polymer electrolyte molded product, membrane electrode composite, and solid polymer fuel cell | TORAY INDUSTRIES, INC. (JP) | 2017-06-06 | — | — | US | disclosed |