SCHEMBL181997

SCHEMBL181997

CCOC(=O)CC(=O)CC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.70
MGAM O43451 1/20 0.70
SI P14410 1/20 0.70
MGAM2 Q2M2H8 1/20 0.70
ALDH1A1 P00352 4/20 0.50
TRPA1 O75762 1/20 0.50
SOAT1 P35610 1/20 0.48
TDP1 Q9NUW8 1/20 0.45
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 2/20 0.42
FAAH O00519 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
Fluoride SCHEMBL27316492 0.97 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28365184 0.97 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27939804 0.97 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6250044 0.97 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28362491 0.97 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3303177 0.95 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
Sulfurous Acid SCHEMBL8755006 0.91 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28686594 0.91 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL7927055 0.90 GAA (0.79) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL155563 0.89 GAA (0.78) 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

Appears in 2554 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431363-A Preparation method of non-neridrone intermediate 苏州富士莱医药股份有限公司 2025-02-14 CN claimed
CN-116178375-B Triazolopyrimidine compound and synthetic method and application thereof 重庆文理学院 2024-09-20 CN claimed
CN-118638002-A Preparation method of sodium valproate toxic metabolite 2-propyl-4-pentenoic acid 湖南大学 2024-09-13 CN claimed
CN-118307408-A Preparation method of ethyl 2-fluoropropionylacetate 上海恩氟佳科技有限公司 2024-07-09 CN claimed
CN-116947600-B Preparation method of 2-isopropyl valeric acid as valproic acid process impurity 湖南省湘中制药有限公司 2024-04-26 CN claimed
CN-116874347-B Preparation method of impurity dipropylvaleric acid in valproic acid process 湖南省湘中制药有限公司 2024-03-29 CN claimed
CN-114957106-B Mobile phase automatic synthesis method of drug pirfenidone 湖北工程学院 2024-01-30 CN claimed
CN-116947600-A Preparation method of 2-isopropyl valeric acid as valproic acid process impurity 湖南省湘中制药有限公司 2023-10-27 CN claimed
CN-116874347-A Preparation method of impurity dipropylvaleric acid in valproic acid process 湖南省湘中制药有限公司 2023-10-13 CN claimed
CN-114920942-B Cadmium (II) ion coordination polymer and preparation method and application thereof 陕西理工大学 2023-07-28 CN claimed
EP-1361801-A1 AUTOINDUCER COMPOUNDS AND THEIR USES Gormar Marketing Limited (KY) 2003-11-19 EP claimed
CN-1422267-A Processes for the preparation of thiazolidinedione derivatives and intermediates HOFFMANN LA ROCHE (CH) 2003-06-04 CN claimed
US-20030092916-A1 Process for the preparation of thiazolidinedione derivatives SCALONE MICHELANGELO (CH) 2003-05-15 US claimed
EP-1282619-A1 PROCESSES FOR THE PREPARATION OF THIAZOLIDINEDIONE DERIVATIVES AND INTERMEDIATES F. HOFFMANN-LA ROCHE AG (CH) 2003-02-12 EP claimed
WO-2002052949-A1 AUTOINDUCER COMPOUNDS AND THEIR USES GORMAR MARKETING LIMITED (KY) 2002-07-11 WO claimed
US-20010049445-A1 Process for the preparation of thiazolidinedione derivatives HOFFMANN-LA ROCHE INC. 2001-12-06 US claimed
WO-2001079202-A1 PROCESSES FOR THE PREPARATION OF THIAZOLIDINEDIONE DERIVATIVES AND INTERMEDIATES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-25 WO claimed
US-5331086-A Deashing process for polyolefins using an alpha,beta-unsaturated ketone PHILLIPS PETROLEUM COMPANY (US) 1994-07-19 US claimed
US-5194671-A Process for the preparation of β-ketocarboxylic acid esters WACKER-CHEMIE GMBH (DE) 1993-03-16 US claimed
US-4209467-A COBALT COMPLEX CATALYST DAICEL LTD. (JP) 1980-06-24 US claimed