SCHEMBL7948509

SCHEMBL7948509

CC(=O)CCC(C)(OO)OOC(C)(CCC(C)=O)OO

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.33
SLC15A2 Q16348 1/20 0.33

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
SCHEMBL4390413 0.79 TSHR (0.55) TSHRGAAALDH1A1
SCHEMBL72719 0.76 TSHR (0.50) TSHRGAAALDH1A1
SCHEMBL4847615 0.76 ALDH1A1 (0.43) TSHRGAAALDH1A1LMNASLC15A2
SCHEMBL28323238 0.73 ALDH1A1 (0.39) GAAALDH1A1LMNASLC15A2
Butanone SCHEMBL8530458 0.73 TSHR (0.73) TSHRGAAALDH1A1
Tert-Butyl Hydroperoxide SCHEMBL11199804 0.73 TSHR (0.46) TSHRGAAALDH1A1
SCHEMBL14861984 0.72 TSHR (0.41) TSHRGAA
SCHEMBL914965 0.70 TSHR (0.62) TSHRALDH1A1LMNA
SCHEMBL11313847 0.70 TSHR (0.67) TSHRGAAALDH1A1
SCHEMBL2460285 0.70 TSHR (0.43) TSHRGAA

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
US-6255266-B1 Alkyldione peroxides as cleaning solutions for wafer fabs CHARTERED SEMICONDUCTOR MANUFACTURING LTD. (SG) 2001-07-03 US claimed
US-6132521-A Cleaning metal surfaces with alkyldione peroxides CHARTERED SEMICONDUCTOR MANUFACTURING LTD. (SG) 2000-10-17 US claimed
US-6255266-B1 Alkyldione peroxides as cleaning solutions for wafer fabs CHARTERED SEMICONDUCTOR MANUFACTURING LTD. (SG) 2001-07-03 US disclosed
US-6132521-A Cleaning metal surfaces with alkyldione peroxides CHARTERED SEMICONDUCTOR MANUFACTURING LTD. (SG) 2000-10-17 US disclosed