SCHEMBL3733736

SCHEMBL3733736

C=C(C)C(=O)OCC(C)(C)COC(=O)C(=C)C.CC(C)(CO)CO

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
THRB P10828 1/20 0.41
ALDH1A1 P00352 3/20 0.39
SERPINE1 P05121 1/20 0.33
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 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
SCHEMBL27278 0.94 TSHR (0.45) TSHRTHRBALDH1A1SERPINE1POLB
SCHEMBL15337 0.92 TSHR (0.50) TSHRTHRBALDH1A1SERPINE1POLB
SCHEMBL25783228 0.91 THRB (0.42) TSHRTHRBALDH1A1SERPINE1
Methacrylic Acid SCHEMBL18037940 0.89 TSHR (0.41) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL19433445 0.89 TSHR (0.41) TSHRTHRBALDH1A1
SCHEMBL15326991 0.87 TSHR (0.40) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL9576258 0.86 THRB (0.47) TSHRTHRBALDH1A1SERPINE1POLB
Methacrylic Acid SCHEMBL28241961 0.86 TSHR (0.45) TSHRTHRBALDH1A1SERPINE1POLB
SCHEMBL9640205 0.86 THRB (0.57) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11682314 0.86 TSHR (0.45) TSHRTHRBALDH1A1SERPINE1POLB

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-106661255-A Conductive multilayer sheet for thermal forming applications 沙特基础工业全球技术有限公司 2017-05-10 CN disclosed
US-7828432-B2 Hybrid contact lenses prepared with expansion controlled polymeric materials SYNERGEYES, INC. (US) 2010-11-09 US disclosed
US-20080291391-A1 HYBRID CONTACT LENSES PREPARED WITH EXPANSION CONTROLLED POLYMERIC MATERIALS SYNERGEYES, INC. 2008-11-27 US disclosed