SCHEMBL5804465

SCHEMBL5804465

C=CCC(C)(C)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 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
SCHEMBL9541542 0.84 HTT (0.37) ALDH1A1MAPTTSHR
SCHEMBL18378114 0.84 ALDH1A1 (0.31) ALDH1A1MAPTTSHR
SCHEMBL20289729 0.83 GAA (0.37) GAA
SCHEMBL9541538 0.82 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL3675285 0.81 ALDH1A1 (0.38) ALDH1A1MAPTTSHR
SCHEMBL3666505 0.80 TSHR (0.38) ALDH1A1TSHR
SCHEMBL9860291 0.80 HCAR2 (0.33) ALDH1A1MAPT
SCHEMBL9861013 0.80 HCAR2 (0.33) ALDH1A1MAPT
SCHEMBL11602378 0.80 HTT (0.35) ALDH1A1TSHR
SCHEMBL7990083 0.79 GAA (0.38) GAAALDH1A1MAPTTSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111417620-B Creatine prodrugs, compositions thereof, and methods of use 奥特吉尼克斯制药公司 2023-08-25 CN disclosed
US-20230244142-A1 POLYMER, RESIST COMPOSITION, AND PATTERN FORMING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-03 US disclosed
CN-111417620-A Creatine prodrugs, compositions thereof, and methods of use 奥特吉尼克斯制药公司 2020-07-14 CN disclosed
US-9869027-B2 Cleaning composition and method of manufacturing metal wiring using the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 US disclosed
US-20160230289-A1 CLEANING COMPOSITION AND METHOD OF MANUFACTURING METAL WIRING USING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2016-08-11 US disclosed
US-9340759-B2 Cleaning composition and method of manufacturing metal wiring using the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-05-17 US disclosed
US-20150136728-A1 CLEANING COMPOSITION AND METHOD OF MANUFACTURING METAL WIRING USING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-05-21 US disclosed
WO-2006069096-A1 SILANOL DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2006-06-29 WO disclosed