⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL19874832 | 0.96 | — | — | |
| SCHEMBL2805773 | 0.79 | — | — | |
| SCHEMBL30318851 | 0.72 | — | — | |
| SCHEMBL3230539 | 0.72 | — | — | |
| SCHEMBL21598896 | 0.72 | LMNA (0.32) | — | |
| SCHEMBL10967077 | 0.72 | — | — | |
| SCHEMBL27541122 | 0.70 | ALDH1A1 (0.43) | — | |
| SCHEMBL104463 | 0.70 | — | — | |
| SCHEMBL22207591 | 0.70 | — | — | |
| SCHEMBL22207592 | 0.70 | — | — |
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-107250097-B | Practical method for producing fluorine-containing α -ketocarboxylic acid esters | 中央硝子株式会社 | 2020-08-07 | — | — | CN | disclosed |
| CN-104761585-B | The substituted-amino pyrimidine of inhibitor as EGFR tyrosine kinase | 北京轩义医药科技有限公司 | 2019-03-26 | — | — | CN | disclosed |
| CN-104761544-B | The selective depressant of the important mutant of clinic of EGFR tyrosine kinase | 北京轩义医药科技有限公司 | 2019-03-15 | — | — | CN | disclosed |
| US-20180050976-A1 | Practical Processes for Producing Fluorinated alpha-Ketocarboxylic Esters and Analogues Thereof | CENTRAL GLASS COMPANY, LIMITED (JP) | 2018-02-22 | — | — | US | disclosed |
| CN-107250097-A | Practical method for producing fluorine-containing alpha-ketocarboxylic acid esters | 中央硝子株式会社 | 2017-10-13 | — | — | CN | disclosed |
| US-20160138059-A1 | Method for Manufacturing Optically Active Fluorolactic Acid Derivative | CENTRAL GLASS COMPANY, LIMITED (JP) | 2016-05-19 | — | — | US | disclosed |
| EP-3020818-A1 | METHOD FOR MANUFACTURING OPTICALLY ACTIVE FLUOROLACTIC ACID DERIVATIVE | Central Glass Company, Limited (JP) | 2016-05-18 | — | — | EP | disclosed |
| CN-104761585-A | Substituted aminopyrimidine working as inhibitor of EGFR epidermal growth factor receptor | CS THERAPEUTICS INC | 2015-07-08 | — | — | CN | disclosed |
| CN-104761544-A | Selectivity inhibitor of EGFR tyrosine kinase clinic important mutant | CS THERAPEUTICS INC | 2015-07-08 | — | — | CN | disclosed |
| EP-1917020-A1 | MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS | Seattle Genetics, Inc. (US) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007008603-A1 | MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS | SEATTLE GENETICS, INC. (US) | 2007-01-18 | — | — | WO | disclosed |