SCHEMBL10734344

SCHEMBL10734344

C=CC(=O)OOC(=O)CC.OCC(CO)(CO)CO

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
THRB P10828 2/20 0.38
TSHR P16473 8/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL2929545 0.88 TSHR (0.44) ALDH1A1TP53HIF1ACYP3A4MAPK1
Potassium SCHEMBL30626019 0.86 TSHR (0.42) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL248338 0.76 ALDH1A1 (0.43) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL18107065 0.76 ALDH1A1 (0.50) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL25514843 0.75 ALDH1A1 (0.76) ALDH1A1TP53HIF1ACYP3A4MAPK1
Acrylic Acid Ethyl Ester SCHEMBL27591448 0.75 ALDH1A1 (0.64) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL28770333 0.75 ALDH1A1 (0.59) ALDH1A1TP53HIF1ACYP3A4MAPK1
Acrylic Acid Methyl Ester SCHEMBL4642932 0.74 ALDH1A1 (0.57) ALDH1A1TP53HIF1ACYP3A4MAPK1
Acrylic Acid Methyl Ester SCHEMBL28066509 0.74 ALDH1A1 (0.57) ALDH1A1TP53HIF1ACYP3A4MAPK1
Acrylic Acid Methyl Ester SCHEMBL27449249 0.74 ALDH1A1 (0.57) ALDH1A1TP53HIF1ACYP3A4MAPK1

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-4698385-A MULTIFUNCTIONAL ACRYLATE, A POLYMERCAPTAN AND VANADIUM PROMOTER; AIR-CURED; SOLVENT RESISTANCE ROHM AND HAAS COMPANY (US) 1987-10-06 US claimed
EP-0156493-A1 Binder compositions, coating compositions containing said binder compositions, and articles coated with said coating compositions ROHM AND HAAS COMPANY (US) 1985-10-02 EP claimed
US-4698385-A MULTIFUNCTIONAL ACRYLATE, A POLYMERCAPTAN AND VANADIUM PROMOTER; AIR-CURED; SOLVENT RESISTANCE ROHM AND HAAS COMPANY (US) 1987-10-06 US disclosed
EP-0156493-A1 Binder compositions, coating compositions containing said binder compositions, and articles coated with said coating compositions ROHM AND HAAS COMPANY (US) 1985-10-02 EP disclosed