SCHEMBL19971186

SCHEMBL19971186

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.43
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GRK2 P25098 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 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
Water SCHEMBL28053922 0.87 TSHR (0.31) TSHR
SCHEMBL19971290 0.85 BBOX1 (0.38) BBOX1
SCHEMBL19971190 0.84 TSHR (0.35) BBOX1MEN1LMNAPOLBGRK2
SCHEMBL19971318 0.84 BBOX1 (0.34) BBOX1TSHR
SCHEMBL19971188 0.82 TSHR (0.31) TSHR
SCHEMBL19971225 0.82 BBOX1 (0.43) BBOX1MEN1LMNAPOLBGRK2
SCHEMBL866754 0.78 BBOX1 (0.47) BBOX1MEN1LMNAPOLBGRK2
SCHEMBL16799129 0.78 BBOX1 (0.47) BBOX1MEN1LMNAPOLBGRK2
SCHEMBL19971283 0.77
Phosphoric Acid SCHEMBL27990847 0.77 BBOX1 (0.36) 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