⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22334428 | 0.79 | — | — | |
| SCHEMBL13236563 | 0.78 | — | — | |
| SCHEMBL22334469 | 0.74 | — | — | |
| SCHEMBL13972940 | 0.72 | — | — | |
| SCHEMBL22334465 | 0.70 | CES1 (0.37) | — | |
| SCHEMBL22986556 | 0.69 | — | — | |
| SCHEMBL22883442 | 0.64 | — | — | |
| SCHEMBL9436942 | 0.64 | — | — | |
| SCHEMBL25955720 | 0.64 | — | — | |
| SCHEMBL14547963 | 0.62 | TDP1 (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-3694041-A1 | ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY CELL, AND MODULE | Daikin Industries, Ltd. (JP) | 2020-08-12 | — | — | EP | disclosed |