SCHEMBL28066090

SCHEMBL28066090

O=C(O)CO[CH]COCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
TSHR P16473 1/20 0.36
CTH P32929 1/20 0.36
CBS P35520 1/20 0.36
THPO P40225 1/20 0.36
THRB P10828 1/20 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
SCHEMBL2829186 0.74
SCHEMBL691825 0.72
SCHEMBL238623 0.72
SCHEMBL26928 0.71
SCHEMBL11095306 0.70
Hydrochloric Acid SCHEMBL11313915 0.70
SCHEMBL175335 0.70
SCHEMBL773672 0.69 TSHR (0.45) PTGS1TSHRCTHCBSTHPO
SCHEMBL25266180 0.68 PTGS1 (0.44) PTGS1TSHRCTHCBSTHPO
SCHEMBL6026330 0.68 PTGS1 (0.53) PTGS1TSHRCTHCBSTHPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105669707-A Ether acid copper complex monocrystal, and preparation method and application thereof 天津师范大学 2016-06-15 CN disclosed