SCHEMBL24600153

SCHEMBL24600153

C=CC(=O)OCCC(C)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.48
HPGD P15428 1/20 0.47
ALDH1A1 P00352 4/20 0.47
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
CYP3A4 P08684 2/20 0.47
HSD17B10 Q99714 1/20 0.47
THRB P10828 2/20 0.44
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
CHRNB2 P17787 2/20 0.30
CHRNA4 P43681 2/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30

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
SCHEMBL14352187 0.88 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23494074 0.84 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL18596154 0.83 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1263582 0.81 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL18084880 0.81 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL18084879 0.80 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
Bromide SCHEMBL21245514 0.79 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL34661 0.79 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29550542 0.79 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9103359 0.79 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A

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-20220214619-A1 PHOTORESIST TOPCOAT COMPOSITIONS AND PATTERN FORMATION METHODS DUPONT ELECTRONIC MATERIALS INTERNATIONAL, LLC 2022-07-07 US disclosed