⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13412392 | 0.86 | — | — | |
| SCHEMBL22986545 | 0.82 | — | — | |
| SCHEMBL23005519 | 0.80 | CTSV (0.39) | — | |
| SCHEMBL21037772 | 0.77 | — | — | |
| SCHEMBL18357196 | 0.76 | — | — | |
| SCHEMBL28616529 | 0.75 | — | — | |
| SCHEMBL22883559 | 0.74 | KDM4E (0.31) | — | |
| SCHEMBL22883600 | 0.73 | — | — | |
| SCHEMBL18426549 | 0.71 | POLB (0.32) | — | |
| SCHEMBL18420467 | 0.71 | POLB (0.32) | — |
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-3780230-A1 | ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY BATTERY, AND MODULE | DAIKIN INDUSTRIES, LTD. (JP) | 2021-02-17 | — | — | EP | disclosed |