⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL284854 | 0.98 | — | — | |
| SCHEMBL337597 | 0.98 | — | — | |
| SCHEMBL28316000 | 0.95 | — | — | |
| SCHEMBL27635764 | 0.95 | — | — | |
| SCHEMBL27635787 | 0.95 | — | — | |
| SCHEMBL7634517 | 0.95 | — | — | |
| SCHEMBL28857405 | 0.95 | — | — | |
| SCHEMBL28396536 | 0.95 | HRH3 (0.32) | — | |
| SCHEMBL20972451 | 0.95 | — | — | |
| SCHEMBL27656769 | 0.95 | HRH3 (0.32) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106749130-A | A kind of method that 5 hydroxymethylfurfural prepares 2,5 furandicarboxylic acids | 浙江大学 | 2017-05-31 | — | — | CN | claimed |
| CN-106560594-B | Inhibit the catalyst of catalyst with aging | 通用汽车环球科技运作有限责任公司 | 2019-09-06 | — | — | CN | disclosed |
| CN-107428073-B | For preparing the silicon composition of elastomer formation component by ballistic processes | 瓦克化学股份公司 | 2019-08-20 | — | — | CN | disclosed |
| CN-106423203-B | A kind of method of fatty acid non-hydrogen decarboxylation | 浙江大学 | 2019-04-02 | — | — | CN | disclosed |
| CN-106749130-B | A kind of method that 5 hydroxymethyl furfural prepares 2,5- furandicarboxylic acid | 浙江大学 | 2019-03-05 | — | — | CN | disclosed |
| CN-107428073-A | For preparing the silicon composition of elastomer formation part by ballistic processes | 瓦克化学股份公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-106749130-A | A kind of method that 5 hydroxymethylfurfural prepares 2,5 furandicarboxylic acids | 浙江大学 | 2017-05-31 | — | — | CN | disclosed |
| CN-106560594-A | Catalytic Converters With Age-suppressing Catalysts | 通用汽车环球科技运作有限责任公司 | 2017-04-12 | — | — | CN | disclosed |
| CN-106423203-A | Method for non-hydrogen decarboxylation of fatty acid | 浙江大学 | 2017-02-22 | — | — | CN | disclosed |
| CN-106391026-A | Preparation method of platinum-nickel alloy supported catalyst and product | 浙江大学 | 2017-02-15 | — | — | CN | disclosed |
| CN-105944764-A | Method for preparing acrylic acid catalyst by using propane | 张玲 | 2016-09-21 | — | — | CN | disclosed |