SCHEMBL19971222

SCHEMBL19971222

C=C(C)C(=O)OCCC[N+](CCC)(CCC)CCCS(=O)(=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
THRB P10828 1/20 0.40
BBOX1 O75936 2/20 0.37
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ENPP2 Q13822 3/20 0.33
RAD52 P43351 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EPHX2 P34913 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
SCHEMBL19971174 0.95 TSHR (0.56) TSHRTHRBBBOX1POLBAPEX1
SCHEMBL19971203 0.90 TSHR (0.46) TSHRTHRBBBOX1POLBAPEX1
SCHEMBL19971317 0.88 TSHR (0.40) TSHRTHRBBBOX1
SCHEMBL16799129 0.85 BBOX1 (0.47) TSHRTHRBBBOX1POLBAPEX1
SCHEMBL19971230 0.82 TSHR (0.43) TSHRTHRBBBOX1POLBENPP2
SCHEMBL19971191 0.81 TSHR (0.51) TSHRTHRBBBOX1ALDH1A1EPHX2
SCHEMBL345585 0.81 TSHR (0.53) TSHRTHRBBBOX1POLBAPEX1
SCHEMBL16628613 0.81 TSHR (0.53) TSHRTHRBBBOX1POLBAPEX1
Lithium Ion SCHEMBL16628565 0.81 TSHR (0.53) TSHRTHRBBBOX1POLBAPEX1
SCHEMBL16628435 0.81 TSHR (0.53) TSHRTHRBBBOX1POLBAPEX1

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-11530286-B2 Sulfobetaine-based protein aggregation inhibitor for use in preventing aggregation of a protein OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2022-12-20 US disclosed
US-10995160-B2 Protein aggregation inhibitor OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2021-05-04 US disclosed
US-20200332044-A1 PROTEIN AGGREGATION INHIBITOR OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2020-10-22 US disclosed
US-20190161563-A1 PROTEIN AGGREGATION INHIBITOR OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2019-05-30 US disclosed
US-20180118859-A1 PROTEIN AGGREGATION INHIBITOR OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2018-05-03 US disclosed
EP-3296314-A1 PROTEIN AGGREGATION INHIBITOR Osaka Organic Chemical Industry Ltd. (JP) 2018-03-21 EP disclosed