SCHEMBL5488304

SCHEMBL5488304

C=CCC(C)(N)C(=CC)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
GGT1 P19440 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
SCHEMBL3224807 0.79 TSHR (0.33) HTTALDH1A1TSHR
SCHEMBL503376 0.79
SCHEMBL371079 0.79
SCHEMBL503383 0.79
SCHEMBL500669 0.77 GGT1 (0.42) HTTALDH1A1TSHRGGT1
Water SCHEMBL7508586 0.77 GGT1 (0.42) HTTALDH1A1TSHRGGT1
Water SCHEMBL27459592 0.77 GGT1 (0.42) HTTALDH1A1TSHRGGT1
Hydrochloric Acid SCHEMBL74583 0.77 GGT1 (0.42) HTTALDH1A1TSHRGGT1
Bicarbonate SCHEMBL8039493 0.72 HTT (0.38) HTTALDH1A1TSHRGGT1
SCHEMBL7275682 0.69 CYP2C19 (0.36) HTTALDH1A1

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
US-9522972-B2 Star polymers and compositions thereof THE LUBRIZOL CORPORATION (US) 2016-12-20 US disclosed
US-20070244018-A1 Star Polymers and Compositions Thereof THE LUBRIZOL CORPORATION 2007-10-18 US disclosed