SCHEMBL9842552

SCHEMBL9842552

C=C(C)C(=O)O[C@@H](C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
SLC7A5 Q01650 1/20 0.33
TGFBR1 P36897 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
ELANE P08246 1/20 0.32
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
SCHEMBL526912 1.00 TSHR (0.45) TSHRALDH1A1TP53THRBSLC7A5
Methyl Alcohol SCHEMBL28174876 0.98 TSHR (0.43) TSHRALDH1A1TP53THRBSLC7A5
Ammonia Solution, Strong SCHEMBL18138980 0.98 TSHR (0.43) TSHRALDH1A1TP53THRBSLC7A5
SCHEMBL28140014 0.94 TSHR (0.41) TSHRALDH1A1TP53THRBSLC7A5
Ethylene Glycol SCHEMBL2466490 0.92 TSHR (0.44) TSHRALDH1A1THRBTGFBR1
Phosphoric Acid SCHEMBL6046347 0.92 TSHR (0.39) TSHRALDH1A1
1,4-Butanediol SCHEMBL2463284 0.88 TSHR (0.41) TSHRALDH1A1THRBTGFBR1
SCHEMBL29010442 0.88 TSHR (0.37) TSHRALDH1A1
SCHEMBL8939198 0.87 TSHR (0.36) TSHRALDH1A1
SCHEMBL2462877 0.87 TSHR (0.40) TSHRALDH1A1THRBTGFBR1

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
CN-112771088-B Acrylate copolymers for galenic applications 美因茨约翰内斯古藤贝格大学 2022-10-25 CN disclosed
CN-112771088-A Acrylate copolymers for galenic applications 美因茨约翰内斯古藤贝格大学 2021-05-07 CN disclosed
EP-0462670-A1 Use of 1-(1-pyrrolidinylcarbonyl)pyridinium salts to attach compounds to caboxylated particles & a kit containing same Johnson & Johnson Clinical Diagnostics, Inc. (US) 1991-12-27 EP disclosed
EP-0411711-A2 Attachment of compounds to polymeric particles using dication ethers and a kit containing same Johnson & Johnson Clinical Diagnostics, Inc. (US) 1991-02-06 EP disclosed