SCHEMBL28028088

SCHEMBL28028088

NC(CCO)CC(N)CCO

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
DPP4 P27487 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL15528258 0.91 THRB (0.36) THRB
SCHEMBL27609505 0.86
SCHEMBL364981 0.85
SCHEMBL26740915 0.82
SCHEMBL56911 0.82
SCHEMBL56910 0.82
Hydrochloric Acid SCHEMBL447725 0.81
Bromide SCHEMBL15392853 0.81
SCHEMBL28350802 0.80
SCHEMBL5822180 0.79

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-104870463-A Glycoconjugation process PFIZER 2015-08-26 CN disclosed