SCHEMBL2208416

SCHEMBL2208416

CCOC(=O)COC(C)(C)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 3/20 0.44
TRPA1 O75762 1/20 0.44
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.37
SOAT1 P35610 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NLRP3 Q96P20 3/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35

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
SCHEMBL5607319 0.84 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11173275 0.78 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21810444 0.78 CYP4F2 (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21812161 0.78 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1607153 0.77 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL26885167 0.75 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9610126 0.75 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL30286097 0.73 GAA (0.79) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL24961537 0.73 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2682415 0.72 GAA (0.60) GAAMGAMSIMGAM2ALDH1A1

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112125802-B Extractive distillation separation system and method for ethyl acetate-isopropanol-water mixture 中国石油大学胜利学院 2021-07-09 CN claimed
CN-112125802-A Extractive distillation separation system and method for ethyl acetate-isopropanol-water mixture 中国石油大学胜利学院 2020-12-25 CN claimed
CN-117142924-A Method for separating acetonitrile-n-propanol-isopropanol mixture and product 常州大学 2023-12-01 CN disclosed
CN-114668799-B Preparation process of cathartic traditional Chinese medicine and component identification and detection method 武汉同济现代医药科技股份有限公司 2023-11-28 CN disclosed
CN-117126218-A Method for extracting and separating semen Strychni acid from different parts of honeysuckle 山东中医药大学 2023-11-28 CN disclosed
CN-116178156-A Optimized separation process and method for ethyl acetate, isopropanol and water 天津市汇筑恒升科技有限公司 2023-05-30 CN disclosed
CN-114668799-A Preparation process and component identification and detection method of laxative traditional Chinese medicine 武汉同济现代医药科技股份有限公司 2022-06-28 CN disclosed
CN-112125802-B Extractive distillation separation system and method for ethyl acetate-isopropanol-water mixture 中国石油大学胜利学院 2021-07-09 CN disclosed
CN-112125802-B Extractive distillation separation system and method for ethyl acetate-isopropanol-water mixture 中国石油大学胜利学院 2021-07-09 CN disclosed
CN-112125802-B Extractive distillation separation system and method for ethyl acetate-isopropanol-water mixture 中国石油大学胜利学院 2021-07-09 CN disclosed
CN-112125802-A Extractive distillation separation system and method for ethyl acetate-isopropanol-water mixture 中国石油大学胜利学院 2020-12-25 CN disclosed
WO-2000007602-A1 COMPOUNDS FOR ALTERING CELL SURFACE SIALIC ACIDS AND METHODS OF USE THEREFOR THE JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2000-02-17 WO disclosed
US-5126335-A PENICILLINS CONTAINING AN ACRYLAMIDE SIDE CHAIN BEECHAM GROUP P.L.C. (GB) 1992-06-30 US disclosed
CN-1047505-A The preparation method of the penicillin of heterocyclic alpha-acrylic derivative BEECHAM GROUP PLC (GB) 1990-12-05 CN disclosed
EP-0389178-A2 Acrylamido-penicillanic-acid derivatives BEECHAM GROUP PLC (GB) 1990-09-26 EP disclosed
EP-0225726-A1 Indole derivatives GLAXO GROUP LIMITED (GB) 1987-06-16 EP disclosed
EP-0137794-A1 CLAVAM DERIVATIVES BEECHAM GROUP PLC (GB) 1985-04-24 EP disclosed
WO-1984003282-A1 CLAVAM DERIVATIVES BEECHAM GROUP PLC (GB) 1984-08-30 WO disclosed
US-4212858-A FUNGICIDE; CULTURING ASPERGILLUS ACULEATUS TOYO JOZO KABUSHIKI KAISHA (JP) 1980-07-15 US disclosed
US-3978210-A FUNGICIDES TOYO JOZO KABUSHIKI KAISHA (JA) 1976-08-31 US disclosed