SCHEMBL23501075

SCHEMBL23501075

CCOC(=O)c1cc(CBr)cnc1C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.55
CYP4A11 Q02928 1/20 0.55
TSHR P16473 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSP90AA1 P07900 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
KDM4E B2RXH2 4/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
DPP4 P27487 1/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL29882204 1.00 CYP4F2 (0.55) CYP4F2CYP4A11TSHRALDH1A1MEN1
SCHEMBL30530206 0.91 CYP4F2 (0.49) CYP4F2CYP4A11TSHRALDH1A1MEN1
SCHEMBL28603823 0.91 CYP4F2 (0.52) CYP4F2CYP4A11TSHRALDH1A1MEN1
SCHEMBL23501076 0.91 CYP4F2 (0.49) CYP4F2CYP4A11TSHRALDH1A1MEN1
Ethane SCHEMBL23501089 0.90 CYP4F2 (0.48) CYP4F2CYP4A11TSHRALDH1A1MEN1
SCHEMBL29897883 0.89 TSHR (0.46) CYP4F2CYP4A11TSHRALDH1A1MEN1
SCHEMBL6559833 0.89 TSHR (0.46) CYP4F2CYP4A11TSHRALDH1A1MEN1
SCHEMBL23500800 0.85 CYP4F2 (0.47) CYP4F2CYP4A11TSHRALDH1A1MEN1
SCHEMBL23500802 0.85 CYP4F2 (0.47) CYP4F2CYP4A11TSHRALDH1A1MEN1
SCHEMBL8630888 0.85 CYP4F2 (0.44) CYP4F2CYP4A11TSHRALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118480002-A High-selectivity synthesis method of imazamox intermediate diethyl 5-bromomethyl-2, 3-pyridine dicarboxylic acid 湖北三峡实验室 2024-08-13 CN claimed
CN-114904474-B Device and method for reacting diethyl 5-bromomethylpyridine-2, 3-dicarboxylic acid 内蒙古新农基科技有限公司 2024-02-09 CN claimed
CN-218131813-U 5-bromomethylpyridine-2,3-dicarboxylic acid diethyl ester reaction device 内蒙古新农基科技有限公司 2022-12-27 CN claimed
CN-114904474-A 5-bromomethylpyridine-2, 3-dicarboxylic acid diethyl ester reaction device and method 内蒙古新农基科技有限公司 2022-08-16 CN claimed
CN-118480002-A High-selectivity synthesis method of imazamox intermediate diethyl 5-bromomethyl-2, 3-pyridine dicarboxylic acid 湖北三峡实验室 2024-08-13 CN disclosed
CN-118480002-A High-selectivity synthesis method of imazamox intermediate diethyl 5-bromomethyl-2, 3-pyridine dicarboxylic acid 湖北三峡实验室 2024-08-13 CN disclosed
CN-114904474-B Device and method for reacting diethyl 5-bromomethylpyridine-2, 3-dicarboxylic acid 内蒙古新农基科技有限公司 2024-02-09 CN disclosed
CN-114904474-B Device and method for reacting diethyl 5-bromomethylpyridine-2, 3-dicarboxylic acid 内蒙古新农基科技有限公司 2024-02-09 CN disclosed
CN-114904474-B Device and method for reacting diethyl 5-bromomethylpyridine-2, 3-dicarboxylic acid 内蒙古新农基科技有限公司 2024-02-09 CN disclosed
CN-218131813-U 5-bromomethylpyridine-2,3-dicarboxylic acid diethyl ester reaction device 内蒙古新农基科技有限公司 2022-12-27 CN disclosed
CN-218131813-U 5-bromomethylpyridine-2,3-dicarboxylic acid diethyl ester reaction device 内蒙古新农基科技有限公司 2022-12-27 CN disclosed
CN-218131813-U 5-bromomethylpyridine-2,3-dicarboxylic acid diethyl ester reaction device 内蒙古新农基科技有限公司 2022-12-27 CN disclosed
CN-114904474-A 5-bromomethylpyridine-2, 3-dicarboxylic acid diethyl ester reaction device and method 内蒙古新农基科技有限公司 2022-08-16 CN disclosed
CN-114904474-A 5-bromomethylpyridine-2, 3-dicarboxylic acid diethyl ester reaction device and method 内蒙古新农基科技有限公司 2022-08-16 CN disclosed
CN-114904474-A 5-bromomethylpyridine-2, 3-dicarboxylic acid diethyl ester reaction device and method 内蒙古新农基科技有限公司 2022-08-16 CN disclosed
CN-113061125-A Preparation method of imidazolidinone compound 沈阳中化农药化工研发有限公司 2021-07-02 CN disclosed
WO-2021115400-A1 PREPARATION METHOD FOR IMIDAZOLINONE COMPOUND 沈阳中化农药化工研发有限公司 2021-06-17 WO disclosed
WO-2021115400-A1 PREPARATION METHOD FOR IMIDAZOLINONE COMPOUND 沈阳中化农药化工研发有限公司 2021-06-17 WO disclosed