⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22883553 | 0.81 | — | — | |
| SCHEMBL22591341 | 0.75 | HSD17B10 (0.33) | — | |
| SCHEMBL22334469 | 0.73 | — | — | |
| SCHEMBL22334514 | 0.69 | — | — | |
| SCHEMBL22334465 | 0.69 | CES1 (0.37) | — | |
| SCHEMBL22883629 | 0.69 | CASP1 (0.32) | — | |
| SCHEMBL22883442 | 0.67 | — | — | |
| SCHEMBL23261820 | 0.65 | — | — | |
| SCHEMBL14511052 | 0.65 | — | — | |
| SCHEMBL25515017 | 0.65 | — | — |
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-3780231-A1 | ELECTROLYTE, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY BATTERY, AND MODULE | DAIKIN INDUSTRIES, LTD. (JP) | 2021-02-17 | — | — | EP | disclosed |