SCHEMBL28612384

SCHEMBL28612384

C=C(C)C(=O)O[SiH](OCCCC)OCCCC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
ALDH1A1 P00352 3/20 0.41
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.34
CES2 O00748 1/20 0.32
TP53 P04637 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
PLA2G4B P0C869 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
SCHEMBL4920692 0.82 TSHR (0.36) TSHRALDH1A1HPGDATMCES2
SCHEMBL28606229 0.80 THRB (0.44) TSHRALDH1A1THRB
SCHEMBL11696010 0.80 ALDH1A1 (0.52) TSHRALDH1A1HPGDTDP1ATM
SCHEMBL1759582 0.76 ALDH1A1 (0.52) TSHRALDH1A1HPGDATMCES2
SCHEMBL17968134 0.76 ALDH1A1 (0.36) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL19742957 0.76 TSHR (0.41) TSHRALDH1A1THRBHPGDPOLB
SCHEMBL9402683 0.75 TSHR (0.51) TSHRALDH1A1THRBHPGDPOLB
SCHEMBL11583525 0.74 TSHR (0.84) TSHRALDH1A1THRBHPGDPOLB
SCHEMBL14893 0.74 TSHR (0.84) TSHRALDH1A1THRBHPGDPOLB
SCHEMBL19066401 0.74 TSHR (0.84) TSHRALDH1A1THRBHPGDPOLB

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
CN-113825776-A Polymers having an upper critical solution temperature in aqueous solution 波音公司 2021-12-21 CN disclosed
CN-113226379-A Nanoparticle encapsulation targeting G protein-coupled receptors in endosomes 武田药品工业株式会社 2021-08-06 CN disclosed