SCHEMBL541144

SCHEMBL541144

CCCONC(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACHE P22303 7/20 0.38
SOAT1 P35610 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 2/20 0.37
EPHX1 P07099 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
Hydrochloric Acid SCHEMBL10556812 0.98 GAA (0.41) GAAALOX15MGAMSIMGAM2
SCHEMBL31120920 0.88 GAA (0.37) GAAALOX15MGAMSIMGAM2
SCHEMBL1136659 0.87 SMN1; SMN2 (0.45) GAAALOX15MGAMSIMGAM2
SCHEMBL27633101 0.84 CYP1A2 (0.42) GAAALOX15MGAMSIMGAM2
SCHEMBL2762290 0.84 ACHE (0.41) GAAALOX15MGAMSIMGAM2
SCHEMBL10773332 0.84 EPHX1 (0.44) GAAALOX15MGAMSIMGAM2
SCHEMBL4632318 0.84 EPHX1 (0.53) ACHEEPHX1
SCHEMBL608445 0.83
SCHEMBL8620634 0.83 GAA (0.39) GAAALOX15MGAMSIMGAM2
SCHEMBL28481312 0.83 EPHX1 (0.52) ALDH1A1ACHESMN1; SMN2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546229-B1 POLYURETHANE AND POLYURETHANE-UREA ELASTOMERS FROM POLYTRIMETHYLENE ETHER GLYCOL DU PONT (US) 2012-02-08 EP claimed
EP-1546229-A4 POLYURETHANE AND POLYURETHANE-UREA ELASTOMERS FROM POLYTRIMETHYLENE ETHER GLYCOL DU PONT (US) 2007-09-19 EP claimed
EP-1546229-A1 POLYURETHANE AND POLYURETHANE-UREA ELASTOMERS FROM POLYTRIMETHYLENE ETHER GLYCOL E.I. DU PONT DE NEMOURS AND COMPANY (US) 2005-06-29 EP claimed
WO-2004014979-A1 POLYURETHANE AND POLYURETHANE-UREA ELASTOMERS FROM POLYTRIMETHYLENE ETHER GLYCOL E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-02-19 WO claimed
EP-1546229-A4 POLYURETHANE AND POLYURETHANE-UREA ELASTOMERS FROM POLYTRIMETHYLENE ETHER GLYCOL DU PONT (US) 2007-09-19 EP disclosed
EP-1546229-A1 POLYURETHANE AND POLYURETHANE-UREA ELASTOMERS FROM POLYTRIMETHYLENE ETHER GLYCOL E.I. DU PONT DE NEMOURS AND COMPANY (US) 2005-06-29 EP disclosed
WO-2004014979-A1 POLYURETHANE AND POLYURETHANE-UREA ELASTOMERS FROM POLYTRIMETHYLENE ETHER GLYCOL E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-02-19 WO disclosed
EP-0592676-B1 IMINOSULFONYLUREA DERIVATIVE AND HERBICIDE NISSAN CHEMICAL IND LTD (JP) 1998-09-30 EP disclosed
US-5686390-A Iminosulfonylurea derivatives and herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1997-11-11 US disclosed
US-5604179-A PLANT GROWTH REGULATOR NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1997-02-18 US disclosed
US-5500406-A 1-AZOLYLIDENEIMINIOSULFONYL-3-PYRIMIDIN-2-YL UREAS; LOW DOSAGE; HIGH SELECTIVITY; CROPS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1996-03-19 US disclosed
EP-0592676-A1 IMINOSULFONYLUREA DERIVATIVE AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1994-04-20 EP disclosed