SCHEMBL29036878

SCHEMBL29036878

CCOC(=O)C(COCC[Si](C)(C)C)P(=O)(OCC)OCC

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL28813664 0.87 POLB (0.33) POLBCA12CA1CA2CA9
SCHEMBL1052265 0.73 POLB (0.40) POLBALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL8532180 0.73 POLB (0.40) POLBALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL25277788 0.71 POLB (0.40) POLBCA12CA1CA2CA9
SCHEMBL14524858 0.71 POLB (0.38) POLBALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL1051880 0.71 POLB (0.53) POLBALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL11343242 0.70 PPARD (0.46) POLBCA12CA1CA2CA9
SCHEMBL7216304 0.69 ALDH1A1 (0.43) POLBALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL10788776 0.69 POLB (0.37) POLBALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL9461450 0.69 ALDH1A1 (0.54) POLBALDH1A1TSHRCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120202181-A Pharmaceutical forms of CD73 inhibitors 欧瑞克制药公司 2025-06-24 CN disclosed
CN-116854758-A CD73 inhibitors 欧瑞克制药公司 2023-10-10 CN disclosed
CN-114929721-B CD73 inhibitors 欧瑞克制药公司 2023-07-18 CN disclosed
CN-114929721-A CD73 inhibitor 欧瑞克制药公司 2022-08-19 CN disclosed