SCHEMBL28014157

SCHEMBL28014157

C=CC(=O)OC(C)(C)C(F)(F)C(C)(F)F

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.32
ALDH1A1 P00352 4/20 0.31
TP53 P04637 3/20 0.31
HIF1A Q16665 3/20 0.31
CYP3A4 P08684 2/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.30
THRB P10828 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
SCHEMBL63733 0.83 TSHR (0.32) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15836525 0.83 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL75108 0.82 TSHR (0.31) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL36390 0.82 TSHR (0.31) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL41942 0.80 TSHR (0.31) TSHR
SCHEMBL2327799 0.80 TSHR (0.31) TSHR
SCHEMBL1922176 0.80 TSHR (0.31) TSHR
SCHEMBL8374003 0.80 TSHR (0.34) TSHR
Acrylic Acid SCHEMBL1327369 0.79 LMNA (0.37)
SCHEMBL42233 0.78 TSHR (0.34) 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
CN-102498138-B Resin precursor composition and resin obtained by photocuring same NIPPON KOGAKU KK 2015-06-24 CN disclosed