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Betadex

Betadex

SCHEMBL21629653

CCCC(OC(O)CC)S(=O)(=O)O.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 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ TXNRD1 Q16881 6/20 0.45
▸ TXNRD3 Q86VQ6 6/20 0.45
▸ TXNRD2 Q9NNW7 6/20 0.45
▸ FYN P06241 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34

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 SCHEMBL193191 0.92 ALDH1A1 (0.53) ALDH1A1TSHRLMNATDP1TXNRD1
Alfadex SCHEMBL2229587 0.92 ALDH1A1 (0.53) ALDH1A1TSHRLMNATDP1TXNRD1
Betadex SCHEMBL306328 0.90 ALDH1A1 (0.51) ALDH1A1TSHRLMNATDP1TXNRD1
Betadex SCHEMBL23198883 0.84 ALDH1A1 (0.56) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL29414129 0.82 ALDH1A1 (0.48) ALDH1A1TSHRLMNATDP1TXNRD1
Betadex SCHEMBL9473824 0.80 ALDH1A1 (0.54) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL22361234 0.76 TSHR (0.46) TSHRTDP1HTR2CSLC6A3HDAC3
Betadex SCHEMBL23198880 0.76 ALDH1A1 (0.59) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL29352258 0.73 ALDH1A1 (0.59) ALDH1A1TSHRLMNATDP1TXNRD1
Alfadex SCHEMBL25413932 0.73 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020019363-A1 DOCETAXEL COMPOSITION FOR INJECTION AND PREPARATION METHOD THEREFOR 比卡生物科技（广州）有限公司 2020-01-30 — — WO claimed