SCHEMBL28260366

SCHEMBL28260366

C=CC(=O)OC(O)CC.C=CCOCC=C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.36
HPGD P15428 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.31

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
SCHEMBL26116 0.89
SCHEMBL11193107 0.89
Hydrogen Peroxide SCHEMBL28304847 0.87 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
Ammonia Solution, Strong SCHEMBL28302964 0.87 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28524913 0.87 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
Ether SCHEMBL28260368 0.85 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
Propene SCHEMBL27674341 0.85 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28869239 0.85 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
Alcohol SCHEMBL1914433 0.85 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
Trimethylammonium SCHEMBL7058009 0.83 TSHR (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108996715-A Non-phosphorus scale dispersing agent and preparation method thereof 合肥易多方科技有限公司 2018-12-14 CN claimed
CN-108996715-A Non-phosphorus scale dispersing agent and preparation method thereof 合肥易多方科技有限公司 2018-12-14 CN disclosed
CN-108996715-A Non-phosphorus scale dispersing agent and preparation method thereof 合肥易多方科技有限公司 2018-12-14 CN disclosed