⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27692084 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL7460095 | 0.80 | — | — | |
| SCHEMBL27282954 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL28055784 | 0.79 | TSHR (0.34) | — | |
| SCHEMBL27692179 | 0.79 | TSHR (0.34) | — | |
| SCHEMBL27668752 | 0.78 | — | — | |
| SCHEMBL27834993 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL27687650 | 0.72 | — | — | |
| SCHEMBL27286494 | 0.72 | — | — | |
| SCHEMBL27791807 | 0.71 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102017270-A | Nonaqueous electrolyte solution for lithium secondary battery and lithium secondary battery containing the same | LG CHEMICAL LTD | 2011-04-13 | — | — | CN | claimed |
| CN-101803101-A | Nonaqueous electrolyte lithium secondary battery | LG CHEMICAL LTD | 2010-08-11 | — | — | CN | claimed |
| CN-101779325-A | Nonaqueous electrolyte lithium secondary battery | LG CHEMICAL LTD | 2010-07-14 | — | — | CN | claimed |
| CN-102017270-A | Nonaqueous electrolyte solution for lithium secondary battery and lithium secondary battery containing the same | LG CHEMICAL LTD | 2011-04-13 | — | — | CN | disclosed |
| CN-101803101-A | Nonaqueous electrolyte lithium secondary battery | LG CHEMICAL LTD | 2010-08-11 | — | — | CN | disclosed |
| CN-101779325-A | Nonaqueous electrolyte lithium secondary battery | LG CHEMICAL LTD | 2010-07-14 | — | — | CN | disclosed |
| CN-100559648-C | Nonaqueous electrolytic solution and the lithium secondary battery that uses it | UBE INDUSTRIES (JP) | 2009-11-11 | — | — | CN | disclosed |
| CN-100499244-C | Nonaqueous electrolyte secondary battery and nonaqueous electrolyte | SANYO ELECTRIC CO MITSUBISHI C (JP) | 2009-06-10 | — | — | CN | disclosed |
| CN-101107745-A | Nonaqueous electrolyte solution and lithium secondary battery using same | UBE INDUSTRIES (JP) | 2008-01-16 | — | — | CN | disclosed |
| CN-1981406-A | Nonaqueous electrolyte secondary battery and nonaqueous electrolyte | SANYO ELECTRIC CO (JP) | 2007-06-13 | — | — | CN | disclosed |
| CN-1181592-C | Nonaqueous electrolyte secondary battery | 三菱化学株式会社 | 2004-12-22 | — | — | CN | disclosed |
| CN-1370335-A | Nonaqueous electrolyte secondary battery | MITSUBISHI CHEM CORP (JP) | 2002-09-18 | — | — | CN | disclosed |