SCHEMBL5493049

SCHEMBL5493049

CCC([O])N(C(C)O)C(C)O

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40

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
SCHEMBL20239037 0.78 TSHR (0.33) TSHR
SCHEMBL5244719 0.77 TSHR (0.30) TSHR
SCHEMBL37338 0.74 ALDH1A1 (0.46) TSHR
Propionic Acid SCHEMBL3844795 0.72 FFAR3 (0.56)
SCHEMBL3638600 0.71 ALDH1A1 (0.42) TSHR
SCHEMBL7083879 0.71 ALDH1A1 (0.42) TSHR
SCHEMBL1535125 0.71 ALDH1A1 (0.42) TSHR
Hydrochloric Acid SCHEMBL81805 0.71 ALDH1A1 (0.42) TSHR
SCHEMBL1267233 0.71 ALDH1A1 (0.42) TSHR
SCHEMBL5595182 0.71 ALDH1A1 (0.42) TSHR

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
US-7253184-B2 4-Substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2007-08-07 US disclosed