Alfadex

Alfadex

SCHEMBL18705306

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

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.77
TSHR P16473 2/20 0.77
LMNA P02545 2/20 0.77
TDP1 Q9NUW8 1/20 0.77
TXNRD1 Q16881 6/20 0.62
TXNRD3 Q86VQ6 6/20 0.62
TXNRD2 Q9NNW7 6/20 0.62
FYN P06241 1/20 0.47
MAOA P21397 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LGALS9 O00182 1/20 0.31
LGALS8 O00214 1/20 0.31

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 SCHEMBL21134960 0.88 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Gamma-Cyclodextrin SCHEMBL25455531 0.88 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Gamma-Cyclodextrin SCHEMBL20533920 0.88 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Betadex SCHEMBL24109285 0.88 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Alfadex SCHEMBL24109286 0.88 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Gamma-Cyclodextrin SCHEMBL25455463 0.88 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Alfadex SCHEMBL25455476 0.88 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Betadex SCHEMBL23188251 0.88 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Gamma-Cyclodextrin SCHEMBL20998969 0.88 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Alfadex SCHEMBL23188277 0.88 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793739-B2 Hollow polymer composition ROHM AND HAAS COMPANY (US) 2020-10-06 US disclosed
US-20180355203-A1 HOLLOW POLYMER COMPOSITION ROHM AND HASS COMPANY (US) 2018-12-13 US disclosed
WO-2017062538-A1 HOLLOW POLYMER COMPOSITION ROHM AND HAAS COMPANY (US) 2017-04-13 WO disclosed