SCHEMBL29137093

SCHEMBL29137093

C=C(C)C(=O)OCCCC(O)[Si](OC)(OC)OC

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
THRB P10828 1/20 0.42
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.35

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
Hydrochloric Acid SCHEMBL9569752 0.98 TSHR (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL29277679 0.84 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2535329 0.84 TSHR (0.49) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28623455 0.81 TSHR (0.46) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28518332 0.81 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4928448 0.79 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16650356 0.78 TSHR (0.46) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11298562 0.78 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1133048 0.78 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL316356 0.78 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT

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-115007110-B Itaconic acid functionalized hydrophilic capillary electrochromatography monolithic column and preparation method and application thereof 河南省人民医院 2023-11-28 CN claimed
CN-115007110-B Itaconic acid functionalized hydrophilic capillary electrochromatography monolithic column and preparation method and application thereof 河南省人民医院 2023-11-28 CN disclosed