SCHEMBL19971271

SCHEMBL19971271

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.42
TSHR P16473 7/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.35
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HSD17B10 Q99714 1/20 0.32
THRB P10828 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
SCHEMBL19971232 0.90 TSHR (0.45) BBOX1TSHRHPGDALDH1A1CYP3A4
SCHEMBL19971312 0.90 TSHR (0.41) BBOX1TSHRHPGDALDH1A1CYP3A4
SCHEMBL19971196 0.87 TSHR (0.49) BBOX1TSHRHPGDALDH1A1CYP3A4
SCHEMBL28191966 0.84 BBOX1 (0.41) BBOX1SMN1; SMN2RXFP1
SCHEMBL11510026 0.83 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL19971235 0.82 BBOX1 (0.49) BBOX1TSHRHPGDALDH1A1CYP3A4
SCHEMBL19971191 0.81 TSHR (0.51) BBOX1TSHRHPGDALDH1A1CYP3A4
SCHEMBL19971237 0.81 TSHR (0.55) BBOX1TSHRHPGDALDH1A1CYP3A4
SCHEMBL19971229 0.80 BBOX1 (0.42) BBOX1TSHRALDH1A1SMN1; SMN2RXFP1
SCHEMBL16673381 0.78 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4TP53

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