SCHEMBL5484572

SCHEMBL5484572

C=C(C)C(=O)OCC(O)CO.C=C(C)C(=O)OCCO

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
THRB P10828 1/20 0.44
KDM4E B2RXH2 1/20 0.39
DUSP3 P51452 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DGKA P23743 1/20 0.34
FAAH O00519 2/20 0.33
USP2 O75604 1/20 0.33
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
Methacrylic Acid SCHEMBL28768388 0.95 TSHR (0.47) TSHRTHRBKDM4EDUSP3MEN1
SCHEMBL29261094 0.93 TSHR (0.55) TSHRTHRBKDM4EDUSP3MEN1
SCHEMBL29375450 0.91 TSHR (0.61) TSHRTHRBKDM4EDUSP3MEN1
SCHEMBL25707 0.91 TSHR (0.61) TSHRTHRBKDM4EDUSP3MEN1
SCHEMBL16863053 0.91 TSHR (0.61) TSHRTHRBKDM4EDUSP3MEN1
Methane SCHEMBL28897391 0.89 TSHR (0.59) TSHRTHRBKDM4EDUSP3MEN1
Glycerin SCHEMBL28100194 0.89 TSHR (0.59) TSHRTHRBKDM4EDUSP3MEN1
Ethylene SCHEMBL27572484 0.89 TSHR (0.59) TSHRTHRBKDM4EDUSP3MEN1
SCHEMBL1834629 0.88 THRB (0.56) TSHRTHRBKDM4EDUSP3MEN1
1,4-Butanediol SCHEMBL22607675 0.88 TSHR (0.53) TSHRTHRBKDM4EDUSP3MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7267846-B2 Tinted lenses and methods of manufacture Doshi, Praful (US) 2007-09-11 US claimed
CN-107427842-A Selective flocculant for ore beneficiation 凯米罗总公司 2017-12-01 CN disclosed