SCHEMBL25228296

SCHEMBL25228296

[CH2]CCC(COC(=O)C=C)COC(=O)C=C

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.58
ALDH1A1 P00352 4/20 0.45
TP53 P04637 3/20 0.45
HIF1A Q16665 3/20 0.45
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HPGD P15428 1/20 0.41
THRB P10828 2/20 0.34

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
SCHEMBL12701633 0.86 TSHR (0.67) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12701884 0.82 TSHR (0.62) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11914095 0.81 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19456761 0.80 TSHR (0.87) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12701669 0.80 TSHR (0.60) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL14463069 0.80 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL6230188 0.80 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL17201704 0.79 TSHR (0.69) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12702100 0.79 TSHR (0.68) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL74390 0.78 TSHR (0.73) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192968-A1 THERMOSET POLYMER POWDER BYK-CHEMIE GMBH (DE) 2023-06-22 US disclosed