SCHEMBL19971304

SCHEMBL19971304

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.40
ALDH1A1 P00352 4/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL19971325 0.84 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19971265 0.83 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19971310 0.81 TSHR (0.36) TSHRHPGD
SCHEMBL19971184 0.80 TSHR (0.40) TSHRALDH1A1
SCHEMBL19971197 0.80 TSHR (0.31) TSHR
SCHEMBL19971254 0.79 TSHR (0.40) TSHRALDH1A1CYP3A4HPGD
SCHEMBL19971335 0.74 TSHR (0.34) TSHRALDH1A1MAPK1
SCHEMBL19971329 0.74 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19971235 0.74 BBOX1 (0.49) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19971332 0.73 TSHR (0.49) TSHRALDH1A1TP53HIF1ACYP3A4

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