SCHEMBL19971272

SCHEMBL19971272

C=C(C)C(=O)OCCC[N+](C)(C)C(C)CCS(=O)(=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
THRB P10828 1/20 0.35
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BBOX1 O75936 1/20 0.32

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
SCHEMBL19971276 0.85 TSHR (0.41) TSHRTHRBPOLBAPEX1HTT
SCHEMBL19971314 0.84 TSHR (0.43) TSHRTHRBPOLBAPEX1HTT
SCHEMBL19971270 0.84 TSHR (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL19971184 0.84 TSHR (0.40) TSHRTHRB
SCHEMBL25625939 0.81 TSHR (0.39) TSHRTHRBPOLBAPEX1HTT
SCHEMBL19971188 0.81 TSHR (0.31) TSHR
SCHEMBL16799129 0.80 BBOX1 (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18151862 0.77 TSHR (0.46) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16799049 0.77 TSHR (0.46) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16799429 0.77 TSHR (0.46) TSHRTHRBPOLBAPEX1HTT

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