⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL225686 | 0.74 | — | — | |
| SCHEMBL6730254 | 0.72 | — | — | |
| SCHEMBL7707964 | 0.72 | — | — | |
| Water SCHEMBL7712021 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL9768200 | 0.67 | — | — | |
| SCHEMBL5950718 | 0.64 | — | — | |
| SCHEMBL5950720 | 0.64 | — | — | |
| SCHEMBL3849157 | 0.62 | — | — | |
| SCHEMBL483026 | 0.61 | CYP2D6 (0.56) | — | |
| SCHEMBL3079741 | 0.61 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100481604-C | Non-aqueous electrolyte and lithium secondary battery using the same | UBE INDUSTRIES (JP) | 2009-04-22 | — | — | CN | disclosed |
| CN-1864299-A | Nonaqueous electrolyte solution and lithium secondary battery using same | UBE INDUSTRIES (JP) | 2006-11-15 | — | — | CN | disclosed |