SCHEMBL28607405

SCHEMBL28607405

CC(C)COc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.51
XDH P47989 2/20 0.49
RXRA P19793 2/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
SLC22A12 Q96S37 1/20 0.49
MYC P01106 2/20 0.48
MAX P61244 2/20 0.48
EP300 Q09472 2/20 0.48
NR1H4 Q96RI1 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HIF1A Q16665 1/20 0.48
FOLH1 Q04609 1/20 0.48
PTGER1 P34995 1/20 0.47
DHODH Q02127 1/20 0.47
FOS P01100 1/20 0.47
JUN P05412 1/20 0.47
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL6198908 0.91 ALDH1A1 (0.59) XDHRXRARXRBRXRGSLC22A12
SCHEMBL4284947 0.88 ALDH1A1 (0.51) XDHRXRARXRBRXRGSLC22A12
SCHEMBL4277471 0.84 ABCB1 (0.52) XDHSLC22A12ALDH1A1DHODH
SCHEMBL4282168 0.84 FOS (0.50) XDHSLC22A12NR1H4ALDH1A1DHODH
SCHEMBL27632253 0.84 MYC (0.51) XDHRXRARXRBRXRGMYC
SCHEMBL4289803 0.83 FOS (0.54) XDHSLC22A12NR1H4ALDH1A1HIF1A
SCHEMBL4275354 0.83 CA12 (0.67) MYCMAXTSHRLMNAMAPK1
SCHEMBL17908022 0.83 TSHR (0.69) DHODHTSHRLMNAMAPK1HTT
SCHEMBL10798892 0.83 EP300 (0.56) XDHRXRARXRBRXRGMYC
SCHEMBL2803337 0.83 MYC (0.50) XDHRXRARXRBRXRGMYC

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110824067-B Method for detecting genotoxic impurities in febuxostat 天津药物研究院有限公司 2024-12-27 CN disclosed
CN-118549571-A Method for separating and measuring content of related substances in febuxostat tablet by adopting HPLC (high Performance liquid chromatography) 广州汇元医药科技有限公司 2024-08-27 CN disclosed
CN-115785018-A Preparation method of febuxostat decarboxylated impurities 湖北广济药业股份有限公司 2023-03-14 CN disclosed
CN-110483441-B Preparation method of febuxostat crystal form A with low impurity content 迪嘉药业集团股份有限公司 2023-02-28 CN disclosed
CN-114149383-A Febuxostat impurity 广东东阳光药业有限公司 2022-03-08 CN disclosed
CN-114149383-A Febuxostat impurity 广东东阳光药业有限公司 2022-03-08 CN disclosed
CN-114149383-A Febuxostat impurity 广东东阳光药业有限公司 2022-03-08 CN disclosed
CN-109238801-B Hemolytic agent for blood cell analysis 武汉百合龙腾生物科技有限责任公司 2021-08-13 CN disclosed