SCHEMBL3477020

SCHEMBL3477020

C=C(C)C(=O)OC[N+](CC)(CC)CC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
TSHR P16473 4/20 0.47
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 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
SCHEMBL10797182 0.86 THRB (0.39) THRBTSHRALDH1A1
SCHEMBL671829 0.81 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
Hydrochloric Acid SCHEMBL475918 0.79 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
Hydrochloric Acid SCHEMBL555449 0.79 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1044534 0.79 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
Iodide SCHEMBL2281650 0.78 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
Bromide SCHEMBL4541172 0.78 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL19971229 0.78 BBOX1 (0.42) THRBTSHRALDH1A1
SCHEMBL1498219 0.77 TSHR (0.50) THRBTSHRALDH1A1POLBAPEX1
Hydrochloric Acid SCHEMBL475736 0.76 TSHR (0.59) THRBTSHRALDH1A1POLBAPEX1

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
US-8221783-B2 Medical devices with triggerable bioadhesive material BOSTON SCIENTIFIC SCIMED, INC. (US) 2012-07-17 US disclosed
EP-2200674-A2 MEDICAL DEVICES WITH TRIGGERABLE BIOADHESIVE MATERIAL Boston Scientific Scimed, Inc. (US) 2010-06-30 EP disclosed
US-20090098176-A1 MEDICAL DEVICES WITH TRIGGERABLE BIOADHESIVE MATERIAL BOSTON SCIENTIFIC SCIMED, INC. (US) 2009-04-16 US disclosed
WO-2009036014-A2 MEDICAL DEVICES WITH TRIGGERABLE BIOADHESIVE MATERIAL BOSTON SCIENTIFIC SCIMED, INC. (US) 2009-03-19 WO disclosed
US-5912294-A Aqueous polymer emulsion, processes of making said aqueous polymer emulsion and methods of using said aqueous polymer emulsion BASF AKTIENGESELLSCHAFT (DE) 1999-06-15 US disclosed