⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16031874 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL16031872 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL22334427 | 0.75 | — | — | |
| SCHEMBL23005701 | 0.74 | — | — | |
| SCHEMBL2120851 | 0.73 | ALOX15 (0.37) | — | |
| SCHEMBL700123 | 0.73 | ALOX15 (0.37) | — | |
| SCHEMBL20663864 | 0.71 | — | — | |
| SCHEMBL347376 | 0.70 | — | — | |
| SCHEMBL14300500 | 0.70 | — | — | |
| SCHEMBL347377 | 0.70 | — | — |
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-3764451-A1 | ELECTROLYTE SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, AND MODULE | DAIKIN INDUSTRIES, LTD. (JP) | 2021-01-13 | — | — | EP | disclosed |