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Betadex

Betadex

SCHEMBL8746198

CCCC.OC[C@H]1O[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]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.83
▸ TSHR P16473 2/20 0.83
▸ LMNA P02545 1/20 0.83
▸ TDP1 Q9NUW8 1/20 0.83
▸ TXNRD1 Q16881 6/20 0.67
▸ TXNRD3 Q86VQ6 6/20 0.67
▸ TXNRD2 Q9NNW7 6/20 0.67
▸ HDAC3 O15379 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ FYN P06241 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ PYGB P11216 2/20 0.36
▸ GAA P10253 1/20 0.36

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
Betadex SCHEMBL6516572 0.94 ALDH1A1 (0.80) ALDH1A1TSHRLMNATDP1TXNRD1
Betadex SCHEMBL28281939 0.94 ALDH1A1 (0.87) ALDH1A1TSHRLMNATDP1TXNRD1
Gamma-Cyclodextrin SCHEMBL28276059 0.94 ALDH1A1 (0.87) ALDH1A1TSHRLMNATDP1TXNRD1
Betadex SCHEMBL23188251 0.91 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Gamma-Cyclodextrin SCHEMBL25455463 0.91 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Gamma-Cyclodextrin SCHEMBL25455531 0.91 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Alfadex SCHEMBL23188277 0.91 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Gamma-Cyclodextrin SCHEMBL20533920 0.91 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Gamma-Cyclodextrin SCHEMBL20998969 0.91 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Alfadex SCHEMBL21134960 0.91 ALDH1A1 (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758229-A1 TOPICAL POLYMERIC DRUG DELIVERY SYSTEM MERCK FROSST CANADA INC. (CA) 1997-02-19 — — EP claimed
WO-1995030409-A1 TOPICAL POLYMERIC DRUG DELIVERY SYSTEM MERCK FROSST CANADA INC. (CA) 1995-11-16 — — WO claimed
CN-103785366-B A kind of iodine/hydrophobic cyclodextrin clathrate and its preparation method and application 沈阳药科大学 2016-08-03 — — CN disclosed
CN-103785366-A Iodine/hydrophobic cyclodextrin clathrate and its preparation method and use UNIV SHENYANG PHARMACEUTICAL 2014-05-14 — — CN disclosed
EP-0758229-A1 TOPICAL POLYMERIC DRUG DELIVERY SYSTEM MERCK FROSST CANADA INC. (CA) 1997-02-19 — — EP disclosed
WO-1995030409-A1 TOPICAL POLYMERIC DRUG DELIVERY SYSTEM MERCK FROSST CANADA INC. (CA) 1995-11-16 — — WO disclosed