SCHEMBL28298942

SCHEMBL28298942

C=C(C)C(=O)OC(C)(C)C.C=C(C)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 3/20 0.39
DGAT1 O75907 1/20 0.37
THRB P10828 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.32
ELANE P08246 1/20 0.31
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL33412 1.00 ALDH1A1 (0.50) ALDH1A1TSHRDGAT1THRBTDP1
Ammonia Solution, Strong SCHEMBL1022660 0.97 ALDH1A1 (0.48) ALDH1A1TSHRDGAT1THRBTDP1
Ethylene SCHEMBL16830236 0.97 ALDH1A1 (0.48) ALDH1A1TSHRDGAT1THRBTDP1
Dimethylamine SCHEMBL9576612 0.93 ALDH1A1 (0.50) ALDH1A1TSHRDGAT1THRBTDP1
Methacrylic Acid SCHEMBL4637357 0.93 ALDH1A1 (0.44) ALDH1A1TSHRDGAT1THRBTDP1
Methacrylic Acid SCHEMBL6011830 0.93 ALDH1A1 (0.44) ALDH1A1TSHRDGAT1THRBTDP1
Methacrylic Acid SCHEMBL1730167 0.91 ALDH1A1 (0.42) ALDH1A1TSHRDGAT1THRBTDP1
SCHEMBL1820007 0.91 ALDH1A1 (0.68) ALDH1A1TSHRDGAT1THRBTDP1
SCHEMBL1798280 0.91 ALDH1A1 (0.68) ALDH1A1TSHRDGAT1THRBTDP1
SCHEMBL8398377 0.91 ALDH1A1 (0.42) ALDH1A1TSHRDGAT1THRBTDP1

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-109749075-A A kind of ethylene oxide based polyalcohol and its preparation method and application 广东工业大学 2019-05-14 CN disclosed