⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL777423 | 0.97 | CYP2C19 (0.32) | — | |
| SCHEMBL777064 | 0.83 | CYP2C19 (0.38) | — | |
| Fluoride SCHEMBL779997 | 0.80 | CYP2C19 (0.36) | — | |
| SCHEMBL779838 | 0.75 | — | — | |
| SCHEMBL776254 | 0.73 | — | — | |
| SCHEMBL24236837 | 0.73 | CYP2C19 (0.33) | — | |
| SCHEMBL419268 | 0.71 | — | — | |
| SCHEMBL6833086 | 0.68 | — | — | |
| Ammonia Solution, Strong SCHEMBL28930562 | 0.68 | — | — | |
| SCHEMBL28627249 | 0.68 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103259044-B | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery | MITSUBISHI CHEMICAL CORP. (JP) | 2016-02-10 | — | — | CN | disclosed |
| CN-102097654-B | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery | MITSUBISHI CHEMICAL CORP. (JP) | 2014-10-01 | — | — | CN | disclosed |
| CN-103259044-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery | MITSUBISHI CHEM CORP | 2013-08-21 | — | — | CN | disclosed |
| CN-101432923-B | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery | MITSUBISHI CHEM CORP | 2012-04-18 | — | — | CN | disclosed |
| CN-102097654-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery | MITSUBISHI CHEM CORP | 2011-06-15 | — | — | CN | disclosed |
| CN-101432923-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery | MITSUBISHI CHEM CORP (JP) | 2009-05-13 | — | — | CN | disclosed |