SCHEMBL29899136

SCHEMBL29899136

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](OO)[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 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.71
TSHR P16473 2/20 0.71
LMNA P02545 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
TXNRD1 Q16881 6/20 0.59
TXNRD3 Q86VQ6 6/20 0.59
TXNRD2 Q9NNW7 6/20 0.59
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
FYN P06241 1/20 0.41
MAOA P21397 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CHRNA7 P36544 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
Betadex SCHEMBL10407857 0.87 ALDH1A1 (0.87) ALDH1A1TSHRLMNATDP1TXNRD1
Gamma-Cyclodextrin SCHEMBL16384436 0.87 ALDH1A1 (0.95) ALDH1A1TSHRLMNATDP1TXNRD1
Alfadex SCHEMBL24109286 0.84 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Alfadex SCHEMBL21134960 0.84 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Gamma-Cyclodextrin SCHEMBL20533920 0.84 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Betadex SCHEMBL23188251 0.84 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Alfadex SCHEMBL25455476 0.84 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Alfadex SCHEMBL23188277 0.84 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Gamma-Cyclodextrin SCHEMBL20998969 0.84 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1TXNRD1
Gamma-Cyclodextrin SCHEMBL25455463 0.84 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025133909-A1 TOPICAL COMPOSITION COMPRISING DUTASTERIDE AND MINOXIDIL FOR ALOPECIA GLENMARK SPECIALTY S.A. (CH) 2025-06-26 WO disclosed
EP-4301425-A1 ALGINATE BASED PARTICLES AS A TEMPORARY EMBOLIC AGENT Crannmed Limited (IE) 2024-01-10 EP disclosed
CN-112494492-B Aripiprazole prodrug compositions 阿尔科姆斯制药爱尔兰有限公司 2023-08-25 CN disclosed
WO-2022185235-A1 ALGINATE BASED PARTICLES AS A TEMPORARY EMBOLIC AGENT CRANNMED LIMITED (IE) 2022-09-09 WO disclosed