SCHEMBL6248642

SCHEMBL6248642

C=C(OC(C)=O)C(=O)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.39
ADRA1A P35348 1/20 0.35
PDE4D Q08499 1/20 0.35
HCAR2 Q8TDS4 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30

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
SCHEMBL3335138 0.78 TSHR (0.43) TSHRALDH1A1ADRA1APDE4DHCAR2
SCHEMBL5474403 0.78 GAA (0.40) TSHRALDH1A1ADRA1APDE4DGAA
SCHEMBL31510876 0.76 TSHR (0.42) TSHRTDP1ALDH1A1ADRA1APDE4D
SCHEMBL15253 0.75
SCHEMBL21772350 0.75 TSHR (0.52) TSHRHSD17B10TDP1ALDH1A1ADRA1A
SCHEMBL3838892 0.73 TSHR (0.50) TSHRHSD17B10TDP1ALDH1A1ADRA1A
SCHEMBL1335211 0.73 ALDH1A1 (0.55) TSHRHSD17B10TDP1ALDH1A1GAA
SCHEMBL6247244 0.72 TSHR (0.64) TSHRHSD17B10TDP1ALDH1A1SMN1; SMN2
SCHEMBL2709332 0.72 TSHR (0.48) TSHRHSD17B10ALDH1A1ADRA1APDE4D
SCHEMBL28905862 0.72 TSHR (0.82) TSHRHSD17B10TDP1ALDH1A1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1274753-B1 MULTIFUNCTIONAL POLYMERS, METHOD FOR THE PRODUCTION AND USE THEREOF BASF AG (DE) 2005-07-27 EP disclosed
US-6921746-B2 Multifunctional polymers, method for the production and use thereof BASF AKTIENGESELLSCHAFT (DE) 2005-07-26 US disclosed
US-20030236178-A1 Multifunctional polymers, method for the production and use thereof BASF AKTIENGESELLSCHAFT (DE) 2003-12-25 US disclosed
EP-1274753-A1 MULTIFUNCTIONAL POLYMERS, METHOD FOR THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2003-01-15 EP disclosed
WO-2001077195-A1 MULTIFUNCTIONAL POLYMERS, METHOD FOR THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2001-10-18 WO disclosed