SCHEMBL19971325

SCHEMBL19971325

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35
BBOX1 O75936 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
SCHEMBL19971329 0.85 TSHR (0.43) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL19971332 0.84 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL19971336 0.84 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL19971304 0.84 TSHR (0.40) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL19971272 0.82 TSHR (0.40) TSHRBBOX1THRB
SCHEMBL25625941 0.81 TSHR (0.41) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL19971197 0.81 TSHR (0.31) TSHR
SCHEMBL35503 0.80 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL16799361 0.77 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL16799249 0.77 TSHR (0.49) 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