SCHEMBL29018985

SCHEMBL29018985

O=C(CO)COP(=O)(O)OCC(=O)CO

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TPI1 P60174 1/20 0.34
MVD P53602 1/20 0.32
TSHR P16473 1/20 0.32
BTN3A1 O00481 1/20 0.31
PPARD Q03181 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
SCHEMBL20798014 0.91 TPI1 (0.43) TPI1MVDBTN3A1
SCHEMBL5485138 0.86 MVD (0.47) MVDBTN3A1
SCHEMBL28246777 0.86 MVD (0.33) TPI1MVD
SCHEMBL15150489 0.86 PLA2G2A (0.34) TPI1MVDBTN3A1PPARD
SCHEMBL43277 0.84 TPI1 (0.50) TPI1
SCHEMBL437886 0.84 BTN3A1 (0.35) BTN3A1
SCHEMBL10876378 0.83 MVD (0.45) MVDBTN3A1
SCHEMBL15647065 0.82 SMN1; SMN2 (0.37)
SCHEMBL28769882 0.82 TPI1 (0.48) TPI1
SCHEMBL29156118 0.82 TPI1 (0.48) TPI1

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-116087486-B Biomarkers for early prediction of cardiovascular disease (CVD) in diabetics and uses thereof 中国医学科学院阜外医院 2024-02-02 CN disclosed
CN-116087485-B Biomarkers for early prediction of cardiovascular disease (CVD) in diabetics and uses thereof 中国医学科学院阜外医院 2023-10-20 CN disclosed
CN-116087486-A Biomarkers for early prediction of cardiovascular disease (CVD) in diabetics and uses thereof 中国医学科学院阜外医院 2023-05-09 CN disclosed
CN-116087485-A Biomarkers for early prediction of cardiovascular disease (CVD) in diabetics and uses thereof 中国医学科学院阜外医院 2023-05-09 CN disclosed