⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17466362 | 0.79 | KDM4E (0.41) | — | |
| SCHEMBL17466372 | 0.75 | KDM4E (0.33) | — | |
| SCHEMBL17491123 | 0.75 | KDM4E (0.33) | — | |
| SCHEMBL17466355 | 0.75 | CA2 (0.52) | — | |
| SCHEMBL17469867 | 0.71 | — | — | |
| SCHEMBL17491118 | 0.71 | TSHR (0.48) | — | |
| SCHEMBL17491124 | 0.71 | TSHR (0.42) | — | |
| SCHEMBL11577708 | 0.70 | USP2 (0.48) | — | |
| SCHEMBL17469866 | 0.69 | — | — | |
| SCHEMBL17491108 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2983233-A1 | NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY STORAGE DEVICE USING SAME | UBE Industries, Ltd. (JP) | 2016-02-10 | — | — | EP | disclosed |