SCHEMBL28656323

SCHEMBL28656323

C=CC(=O)O[Si](COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.40
THRB P10828 2/20 0.38
ALDH1A1 P00352 7/20 0.36
HPGD P15428 1/20 0.35
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2112436 0.84 TSHR (0.39) TSHRTHRBALDH1A1HPGDTP53
SCHEMBL28035755 0.79 TSHR (0.40) TSHRTHRBALDH1A1HPGDTP53
SCHEMBL12094993 0.77 TSHR (0.48) TSHRTHRBALDH1A1
SCHEMBL8574043 0.73 ALDH1A1 (0.39) TSHRTHRBALDH1A1HPGDTP53
SCHEMBL15347586 0.73 TSHR (0.45) TSHRTHRBALDH1A1HPGDTP53
SCHEMBL700688 0.73 TSHR (0.59) TSHRTHRBALDH1A1HPGDTP53
SCHEMBL2958964 0.72 TSHR (0.44) TSHRTHRBALDH1A1
SCHEMBL9788891 0.72 TSHR (0.57) TSHRTHRBALDH1A1HPGDTP53
SCHEMBL6275843 0.72 TSHR (0.57) TSHRTHRBALDH1A1HPGDTP53
Acrylic Acid Ethyl Ester SCHEMBL669169 0.72 THRB (0.50) TSHRTHRBALDH1A1HPGDTP53

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-113412291-A Novel thermally crosslinkable compositions and corresponding self-adhesive articles 博斯蒂克股份公司 2021-09-17 CN disclosed