SCHEMBL22448263

SCHEMBL22448263

C=CCC(=O)OCCC(=O)OCCC(C)OC(=O)CCO

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL2464920 0.80 TSHR (0.43) TDP1
SCHEMBL15997722 0.77 TDP1 (0.36) TDP1HTT
SCHEMBL1028335 0.76 HTT (0.42) TDP1HTT
SCHEMBL170421 0.74 ADRA2A (0.35)
SCHEMBL2464778 0.74 TSHR (0.43) TDP1HTT
SCHEMBL8462926 0.73 TDP1 (0.54) TDP1HTT
SCHEMBL20581538 0.72 DGKA (0.42)
SCHEMBL421384 0.72 DGKA (0.42)
Ethylene Glycol SCHEMBL1834312 0.71 TSHR (0.39) TDP1HTT
SCHEMBL7572877 0.69 CYP19A1 (0.46) TDP1

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
EP-2490727-B1 COMPOSITION FOR THE TREATMENT OF A BONE FRACTURE BIOMEDICAL BONDING AB (SE) 2020-09-23 EP disclosed