SCHEMBL22059458

SCHEMBL22059458

C=C(C)C(=O)OCCN(C(C)C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
THRB P10828 1/20 0.43
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL12285538 0.79 THRB (0.48) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL499465 0.79 THRB (0.48) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL149959 0.79 TSHR (0.52) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL12286354 0.79 TSHR (0.52) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL8886266 0.77 THRB (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL16295838 0.77 THRB (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL21099584 0.77 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL21943129 0.76 THRB (0.46) TSHRTHRBALDH1A1POLBAPEX1
Methacrylic Acid SCHEMBL8175854 0.75 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL20548917 0.75 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1

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
WO-2021004383-A1 PREPOLYMER WITH MULTIPLE FUNCTIONAL GROUPS FOR PRINTING THREE-DIMENSIONAL OBJECTS AND METHOD OF USING THE SAME LUXCREO (BEIJING) INC. (CN) 2021-01-14 WO disclosed
US-20200174367-A1 BLOCKING GROUPS FOR LIGHT POLYMERIZABLE RESINS USEFUL IN ADDITIVE MANUFACTURING CARBON INC (US) 2020-06-04 US disclosed