⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3656532 | 0.81 | — | — | |
| SCHEMBL608721 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL608722 | 0.77 | — | — | |
| SCHEMBL18632237 | 0.77 | — | — | |
| SCHEMBL27813389 | 0.77 | — | — | |
| SCHEMBL7536007 | 0.77 | — | — | |
| SCHEMBL7297893 | 0.77 | — | — | |
| SCHEMBL27870975 | 0.75 | — | — | |
| SCHEMBL1975018 | 0.75 | — | — | |
| SCHEMBL224781 | 0.74 | — | — |
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-103348526-B | Nonaqueous electrolyte for lithium secondary battery and lithium secondary battery comprising same | LG CHEMICAL LTD | 2015-06-10 | — | — | CN | claimed |
| CN-103348526-A | Nonaqueous electrolyte for lithium secondary battery and lithium secondary battery comprising same | LG CHEMICAL LTD | 2013-10-09 | — | — | CN | claimed |
| CN-103348526-B | Nonaqueous electrolyte for lithium secondary battery and lithium secondary battery comprising same | LG CHEMICAL LTD | 2015-06-10 | — | — | CN | disclosed |
| CN-102834373-B | Method for producing carbamate compound, and method for producing isocyanate compound using same | ASAHI GLASS CO LTD | 2014-07-23 | — | — | CN | disclosed |
| CN-103348526-A | Nonaqueous electrolyte for lithium secondary battery and lithium secondary battery comprising same | LG CHEMICAL LTD | 2013-10-09 | — | — | CN | disclosed |
| CN-102834373-A | Method for producing carbamate compound, and method for producing isocyanate compound using same | ASAHI GLASS CO LTD | 2012-12-19 | — | — | CN | disclosed |