⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2920413 | 0.81 | HSD17B10 (0.36) | — | |
| SCHEMBL6768696 | 0.81 | MEN1 (0.34) | — | |
| SCHEMBL27858121 | 0.74 | L3MBTL1 (0.34) | — | |
| SCHEMBL5648778 | 0.74 | DPP7 (0.33) | — | |
| SCHEMBL9435781 | 0.72 | SLC29A1 (0.32) | — | |
| SCHEMBL29016445 | 0.71 | MMP1 (0.32) | — | |
| SCHEMBL28023530 | 0.71 | L3MBTL1 (0.32) | — | |
| SCHEMBL3053925 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL28197631 | 0.68 | HRH3 (0.35) | — | |
| SCHEMBL4973355 | 0.68 | SMN1; SMN2 (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-0887874-B1 | Electrolyte for lithium batteries and its use, and method for increasing the safety of lithium batteries | SOLVAY FLUOR GMBH (DE) | 2010-09-22 | — | — | EP | disclosed |