⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28145677 | 1.00 | — | — | |
| SCHEMBL27772659 | 0.85 | — | — | |
| SCHEMBL27793960 | 0.82 | — | — | |
| SCHEMBL423328 | 0.79 | — | — | |
| SCHEMBL27703066 | 0.77 | — | — | |
| Iodide SCHEMBL3442977 | 0.77 | — | — | |
| SCHEMBL22337944 | 0.75 | — | — | |
| SCHEMBL425888 | 0.75 | — | — | |
| Bromide SCHEMBL30079491 | 0.73 | — | — | |
| SCHEMBL424414 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101663790-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same | MITSUBISHI CHEM CORP | 2010-03-03 | — | — | CN | disclosed |