⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17469866 | 0.88 | — | — | |
| SCHEMBL17466389 | 0.83 | KDM4E (0.33) | — | |
| SCHEMBL17466352 | 0.77 | — | — | |
| SCHEMBL17469858 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL17469868 | 0.74 | TSHR (0.37) | — | |
| SCHEMBL17469876 | 0.74 | TSHR (0.37) | — | |
| SCHEMBL17466372 | 0.74 | KDM4E (0.33) | — | |
| SCHEMBL17469826 | 0.71 | — | — | |
| SCHEMBL17466310 | 0.71 | — | — | |
| SCHEMBL17456535 | 0.71 | CA2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160027592-A1 | NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY STORAGE DEVICE USING SAME | UBE INDUSTRIES, LTD. (JP) | 2016-01-28 | — | — | US | disclosed |