SCHEMBL423921

SCHEMBL423921

C=CC(=O)OCCOCC.O=C(O)C1=CCC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.49
ALDH1A1 P00352 4/20 0.49
TP53 P04637 2/20 0.49
HIF1A Q16665 2/20 0.49
HSD17B10 Q99714 1/20 0.49
THRB P10828 5/20 0.46
HPGD P15428 1/20 0.41
CYP3A4 P08684 1/20 0.38
LMNA P02545 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
SCHEMBL426844 0.92 TSHR (0.46) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL424013 0.87 TSHR (0.49) TSHRALDH1A1TP53HIF1AHSD17B10
Acrylic Acid Ethyl Ester SCHEMBL340906 0.87 TSHR (0.40) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL424629 0.86 THRB (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL422877 0.84 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL420653 0.83 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL420649 0.82 TSHR (0.55) TSHRALDH1A1TP53THRBHPGD
SCHEMBL423893 0.82 TSHR (0.55) TSHRALDH1A1TP53THRBHPGD
SCHEMBL426982 0.81 TSHR (0.45) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL26250 0.80 TSHR (0.75) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940834-B2 Partially aromatic polyamide moulding compositions and their uses EMS-PATENT AG (CH) 2015-01-27 US claimed
EP-2410020-B1 Partially aromatic polyamide moulding compositions and their applications EMS PATENT AG (CH) 2013-01-30 EP claimed
US-20120022194-A1 PARTIALLY AROMATIC POLYAMIDE MOULDING COMPOSITIONS AND THEIR USES EMS-PATENT AG (CH) 2012-01-26 US claimed
US-8940834-B2 Partially aromatic polyamide moulding compositions and their uses EMS-PATENT AG (CH) 2015-01-27 US disclosed
US-20120022194-A1 PARTIALLY AROMATIC POLYAMIDE MOULDING COMPOSITIONS AND THEIR USES EMS-PATENT AG (CH) 2012-01-26 US disclosed