SCHEMBL29414129

SCHEMBL29414129

CCCC(O[C@@H]1[C@@H](O)[C@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@@H](CO)O2)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TXNRD1 Q16881 6/20 0.43
TXNRD3 Q86VQ6 6/20 0.43
TXNRD2 Q9NNW7 6/20 0.43
FYN P06241 1/20 0.36
MAOA P21397 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
Alfadex SCHEMBL2229587 0.88 ALDH1A1 (0.53) ALDH1A1TSHRLMNATDP1TXNRD1
Betadex SCHEMBL193191 0.88 ALDH1A1 (0.53) ALDH1A1TSHRLMNATDP1TXNRD1
Betadex SCHEMBL306328 0.86 ALDH1A1 (0.51) ALDH1A1TSHRLMNATDP1TXNRD1
Betadex SCHEMBL21629653 0.82 ALDH1A1 (0.47) ALDH1A1TSHRLMNATDP1TXNRD1
Betadex SCHEMBL23198883 0.80 ALDH1A1 (0.56) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL30767995 0.78 ALDH1A1 (0.61) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL29352258 0.77 ALDH1A1 (0.59) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL29401827 0.75 ALDH1A1 (0.61) ALDH1A1TSHRLMNATDP1TXNRD1
Betadex SCHEMBL23198880 0.74 ALDH1A1 (0.59) ALDH1A1TSHRLMNATDP1TXNRD1
Alfadex SCHEMBL25413932 0.74 ALDH1A1 (0.80) ALDH1A1TSHRLMNATDP1TXNRD1

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113271923-B Pharmaceutical composition of furosemide and application thereof SQ创新股份公司 2025-05-13 CN claimed
CN-118121544-B Phloretin-liposome composition based on molecular inclusion compound and preparation method and application thereof 合肥和晨生物科技有限公司 2024-11-26 CN claimed
CN-118121560-B Phloretin composite microcapsule based on molecular inclusion compound and preparation method and application thereof 合肥和晨生物科技有限公司 2024-11-01 CN claimed
CN-118217292-A Triple compound pharmaceutical composition for treating glaucoma 苏州裕泰医药科技有限公司 2024-06-21 CN claimed
CN-118141947-A Phloretin-hydrophilic active ingredient dual-embedding delivery preparation based on molecular inclusion compound and preparation method and application thereof 上海交通大学 2024-06-07 CN claimed
CN-118121560-A Phloretin composite microcapsule based on molecular inclusion compound and preparation method and application thereof 合肥和晨生物科技有限公司 2024-06-04 CN claimed
CN-118121544-A Phloretin-liposome composition based on molecular inclusion compound and preparation method and application thereof 合肥和晨生物科技有限公司 2024-06-04 CN claimed
CN-117757100-A Preparation method of cyclodextrin modified polysaccharide-based supermolecular polymer 南开大学 2024-03-26 CN claimed
CN-116920123-A Toremifene cyclodextrin inclusion and preparation method thereof 重庆士立德医药科技有限公司 2023-10-24 CN claimed
CN-116617413-A Eutectic solvent, preparation method thereof and transdermal drug delivery system matrix 季华实验室 2023-08-22 CN claimed
CN-116407510-A Sublingual tablet of butylphthalide and preparation method thereof 河北赛谱睿思医药科技有限公司 2023-07-11 CN claimed
EP-4121037-A1 INHALATIONAL THERAPY FOR COVID-19 Memorial Sloan Kettering Cancer Center (US) 2023-01-25 EP claimed
CN-113189159-B Electrochemical sensor for simultaneously detecting nitrophenol isomers and preparation method thereof 天津科技大学(CN) 2023-01-13 CN claimed
CN-115068410-A Triptolide clathrate temperature-change gel for articular cavity injection and preparation method thereof 重庆医药高等专科学校 2022-09-20 CN claimed
EP-3946268-A1 INHALED STATINS AS BRONCHODILATORS TO IMPROVE LUNG FUNCTION IN RESPIRATORY DISEASES The Regents of The University of California (US) 2022-02-09 EP claimed
WO-2025124498-A1 LIPOSOME OF NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF 上海艾力斯医药科技股份有限公司 2025-06-19 WO disclosed
WO-2025119195-A1 COMBINATION OF POLQ INHIBITOR AND ANTI-CANCER THERAPEUTIC AGENT DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2025-06-12 WO disclosed
CN-114585364-A Use of glutamate 2b receptor antagonists and sigma receptor agonists as antitussives 阿尔杰农制药股份有限公司 2022-06-03 CN disclosed
WO-2022066835-A1 SUBSTITUTED N-(2-(2,6-DIOXOPIPERIDIN-3-YL)-1,3-DIOXOISOINDOLIN-5-YL)ARYLSULFONAMIDE ANALOGS AS MODULATORS OF CEREBLON PROTEIN ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2022-03-31 WO disclosed
CN-111040015-B 19-nor-C21 substituted steroid derivatives 南京诺瑞特医药科技有限公司 2022-03-18 CN disclosed