SCHEMBL588262

SCHEMBL588262

C=CC(=O)NN(OCCO)OCCO

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL588661 0.85 TSHR (0.37) TSHRALDH1A1MAPK1TDP1
SCHEMBL10817183 0.74
SCHEMBL28891368 0.72 ACHE (0.31)
SCHEMBL11063775 0.69 ACHE (0.32) ALDH1A1
SCHEMBL5993397 0.69 ZDHHC20 (0.46) TSHRALDH1A1MAPK1TDP1
SCHEMBL27878085 0.68 TSHR (0.46) TSHRALDH1A1
SCHEMBL16029334 0.68
SCHEMBL588261 0.68 TSHR (0.41) TSHRALDH1A1MAPK1TDP1
SCHEMBL1783783 0.68 TSHR (0.46) TSHRALDH1A1
Acrylic Acid SCHEMBL7627105 0.68 TSHR (0.46) TSHRALDH1A1

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-8114819-B2 Polymers for oilfield applications BAKER HUGHES INCORPORATED (US) 2012-02-14 US disclosed
US-20100105580-A1 Polymers For Oilfield Applications BJ SERVICES COMPANY (US) 2010-04-29 US disclosed