SCHEMBL19971236

SCHEMBL19971236

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

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.39
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ACACB O00763 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
SCHEMBL19971219 0.91 TSHR (0.35) BBOX1TSHRACACB
SCHEMBL19971296 0.91 EPHX2 (0.36) BBOX1TSHRACACB
SCHEMBL19971297 0.86 BBOX1 (0.43) BBOX1TSHR
SCHEMBL6117865 0.83 TSHR (0.37) TSHRACACB
SCHEMBL19971256 0.82 BBOX1 (0.39) BBOX1SMN1; SMN2RXFP1
SCHEMBL19971321 0.81 TSHR (0.35) TSHRACACB
SCHEMBL19971309 0.80 ZDHHC20 (0.46) BBOX1TSHRSMN1; SMN2RXFP1
SCHEMBL19971208 0.79 BBOX1 (0.42) BBOX1TSHRSMN1; SMN2RXFP1
SCHEMBL19971210 0.79 BBOX1 (0.38) BBOX1TSHRSMN1; SMN2RXFP1
SCHEMBL19971179 0.78 TSHR (0.33) BBOX1TSHR

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