⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5558118 | 0.83 | — | — | |
| SCHEMBL17456423 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL15720234 | 0.81 | — | — | |
| SCHEMBL17456474 | 0.81 | — | — | |
| Methane SCHEMBL25300596 | 0.81 | — | — | |
| SCHEMBL17456387 | 0.81 | RECQL (0.33) | — | |
| SCHEMBL28569345 | 0.77 | CA1 (0.39) | — | |
| SCHEMBL17456385 | 0.77 | CA2 (0.31) | — | |
| SCHEMBL27512715 | 0.72 | BBOX1 (0.32) | — | |
| Sulfuric Acid SCHEMBL17102659 | 0.71 | CA5A (0.40) | — |
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-105074996-B | Nonaqueous electrolytic solution and the electric energy storage device for having used the nonaqueous electrolytic solution | 宇部兴产株式会社 | 2017-10-03 | — | — | CN | disclosed |
| CN-105074996-A | Nonaqueous electrolyte solution and electricity storage device using same | UBE INDUSTRIES | 2015-11-18 | — | — | CN | disclosed |