⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17469872 | 0.80 | CA1 (0.32) | — | |
| SCHEMBL17466398 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL17466297 | 0.74 | — | — | |
| SCHEMBL17469891 | 0.74 | — | — | |
| SCHEMBL17491110 | 0.72 | CA1 (0.42) | — | |
| SCHEMBL17469862 | 0.72 | — | — | |
| SCHEMBL17469927 | 0.71 | — | — | |
| SCHEMBL17469860 | 0.69 | — | — | |
| SCHEMBL17456626 | 0.68 | ALDH1A1 (0.43) | — | |
| SCHEMBL17469877 | 0.67 | — | — |
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 |