SCHEMBL19971191

SCHEMBL19971191

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
BBOX1 O75936 2/20 0.37
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ATM Q13315 1/20 0.36
THRB P10828 3/20 0.35
HCAR2 Q8TDS4 3/20 0.35
EPHX2 P34913 1/20 0.33

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
SCHEMBL19971237 0.95 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4BBOX1
SCHEMBL19971196 0.90 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4BBOX1
SCHEMBL19971312 0.88 TSHR (0.41) TSHRHPGDALDH1A1CYP3A4BBOX1
SCHEMBL13415756 0.87 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL35503 0.85 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4BBOX1
SCHEMBL19971232 0.82 TSHR (0.45) TSHRHPGDALDH1A1CYP3A4BBOX1
SCHEMBL19971222 0.81 TSHR (0.53) TSHRALDH1A1BBOX1THRBEPHX2
SCHEMBL23607560 0.81 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4BBOX1
SCHEMBL19971271 0.81 BBOX1 (0.42) TSHRHPGDALDH1A1CYP3A4BBOX1
SCHEMBL16799372 0.81 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4BBOX1

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