SCHEMBL8548559

SCHEMBL8548559

COC(=O)CCOCC(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 4/20 0.41
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.37
CYP1A2 P05177 1/20 0.34

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
SCHEMBL4060095 0.87 TSHR (0.67) TSHRKMT2AMEN1LMNACA12
SCHEMBL6463788 0.87 TSHR (0.50) TSHRKMT2AMEN1LMNACA12
SCHEMBL22092864 0.86 TSHR (0.52) TSHRKMT2AMEN1LMNACA12
SCHEMBL17489164 0.86 TSHR (0.52) TSHRKMT2AMEN1LMNACA12
SCHEMBL3682553 0.84 TSHR (0.63) TSHRKMT2AMEN1LMNACA12
SCHEMBL7648165 0.84 TSHR (0.48) TSHRKMT2AMEN1LMNACA12
SCHEMBL6818326 0.84 TSHR (0.44) TSHRKMT2AMEN1LMNACA12
SCHEMBL22092626 0.83 TSHR (0.39) TSHRKMT2AMEN1LMNACA12
SCHEMBL437823 0.83 TSHR (0.40) TSHRKMT2AMEN1LMNACA12
SCHEMBL2809541 0.82 TSHR (0.48) TSHRKMT2AMEN1LMNACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10243238-B2 Electrolyte for lithium cell ROBERT BOSCH GMBH (DE) 2019-03-26 US disclosed
WO-2014114542-A1 ELECTROLYTE FOR LITHIUM CELL ROBERT BOSCH GMBH (DE) 2014-07-31 WO disclosed
EP-0608568-B1 Aminocycloalkanobenzodioxoles as beta-3 selective adrenergic agents AMERICAN CYANAMID CO (US) 1998-03-11 EP disclosed
US-5594027-A TREATMENT OF DIABETES, HYPERGLYCEMIA AND OBESITY AMERICAN CYANAMID COMPANY (US) 1997-01-14 US disclosed
US-5510376-A TREATING DIABETES, HYPERGLYCEMIA, OBESITY AMERICAN CYANAMID COMPANY (US) 1996-04-23 US disclosed
EP-0608568-A1 Aminocycloalkanobenzodioxoles as beta-3 selective adrenergic agents AMERICAN CYANAMID COMPANY (US) 1994-08-03 EP disclosed