SCHEMBL3760078

SCHEMBL3760078

C=CC(=O)OC(CC)CC(C)(C)N

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
HPGD P15428 1/20 0.34
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 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
SCHEMBL28419973 0.89
SCHEMBL561301 0.81 TSHR (0.45) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL107695 0.80 TSHR (0.33) TSHRHPGDTHRB
SCHEMBL13562098 0.80 ALDH1A1 (0.36) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL3764879 0.79 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL483315 0.78 TSHR (0.39) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL28118439 0.78 TSHR (0.32) TSHRHPGD
SCHEMBL28988185 0.77 TSHR (0.31) TSHR
Hydrochloric Acid SCHEMBL2019274 0.77 TSHR (0.40) TSHRHPGDTHRBALDH1A1TP53
Bromide SCHEMBL26661212 0.77 TSHR (0.40) TSHRHPGDTHRBALDH1A1TP53

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111971116-B Dispersant composition, coloring composition and color filter 大塚化学株式会社 2022-06-28 CN disclosed
EP-1980544-B1 Process for producing powder KAO CORP (JP) 2016-11-16 EP disclosed
EP-1693352-B1 SURFACTANT COMPOSITION KAO CORP (JP) 2016-03-23 EP disclosed
US-7846876-B2 Surfactant composition KAO CORPORATION (JP) 2010-12-07 US disclosed
US-20080262129-A1 mixing an anionic aromatic compound (sodium p-toluenesulfonate), a cationic surfactant polydiallyldimethylammonium chloride and water to obtain a viscous material and feeding the viscous material heated at the specific temperature to the drying step; less caking; modifying the rheology KAO CORPORATION (JP) 2008-10-23 US disclosed
EP-1980544-A2 Process for producing powder Kao Corporation (JP) 2008-10-15 EP disclosed
US-20080058227-A1 Surfactant Composition KAO CORPORATION (JP) 2008-03-06 US disclosed
EP-1693352-A1 SURFACTANT COMPOSITION Kao Corporation (JP) 2006-08-23 EP disclosed