⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22334446 | 0.92 | NPSR1 (0.30) | — | |
| SCHEMBL22334451 | 0.86 | NPSR1 (0.39) | — | |
| SCHEMBL22334457 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL22334461 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL22334503 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL22334500 | 0.75 | — | — | |
| SCHEMBL15546130 | 0.73 | — | — | |
| SCHEMBL22319231 | 0.71 | ALDH1A1 (0.42) | — | |
| SCHEMBL21034753 | 0.68 | NPSR1 (0.41) | — | |
| SCHEMBL22334444 | 0.68 | HTT (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 |
|---|---|---|---|---|---|---|---|
| EP-3694041-A1 | ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY CELL, AND MODULE | Daikin Industries, Ltd. (JP) | 2020-08-12 | — | — | EP | disclosed |