SCHEMBL19971210

SCHEMBL19971210

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

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL19971299 0.91 BBOX1 (0.34) BBOX1TSHR
SCHEMBL19971200 0.91 TSHR (0.35) BBOX1TSHR
SCHEMBL19971225 0.85 BBOX1 (0.43) BBOX1TSHR
SCHEMBL19971290 0.82 BBOX1 (0.38) BBOX1SMN1; SMN2RXFP1
SCHEMBL19971233 0.80
SCHEMBL19971196 0.79 TSHR (0.49) BBOX1SMN1; SMN2RXFP1TSHR
SCHEMBL19971236 0.79 BBOX1 (0.39) BBOX1SMN1; SMN2RXFP1TSHR
SCHEMBL9453811 0.78 TSHR (0.38) SMN1; SMN2TSHR
SCHEMBL19971271 0.78 BBOX1 (0.42) BBOX1SMN1; SMN2RXFP1TSHR
SCHEMBL19971243 0.77 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