SCHEMBL9547012

SCHEMBL9547012

O=C(O)CC(=O)C(=O)OC(C(=O)O)C(O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
SRC P12931 1/20 0.33
LDHA P00338 1/20 0.31
SRR Q9GZT4 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
SCHEMBL1263842 0.80 TSHR (0.47) TSHRSRC
SCHEMBL7118530 0.79 MMP1 (0.39) TSHRSRCLDHASRR
SCHEMBL16401951 0.76 TSHR (0.43) TSHRSRC
SCHEMBL1263837 0.76 TSHR (0.43) TSHRSRC
SCHEMBL4950263 0.73 TSHR (0.45) TSHRSRC
SCHEMBL9223118 0.72 TSHR (0.39) TSHRSRC
SCHEMBL7707382 0.72 TSHR (0.43) TSHRSRC
SCHEMBL9213810 0.71 TSHR (0.38) TSHRSRC
SCHEMBL7516069 0.71 TSHR (0.47) TSHRSRC
SCHEMBL7516079 0.71 TSHR (0.47) TSHRSRC

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
EP-0551390-A1 POLYHYDROXY FATTY ACID AMIDES IN SOIL RELEASE AGENT-CONTAINING DETERGENT COMPOSITIONS. PROCTER & GAMBLE (US) 1993-07-21 EP disclosed
WO-1992006152-A1 POLYHYDROXY FATTY ACID AMIDES IN SOIL RELEASE AGENT-CONTAINING DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1992-04-16 WO disclosed