SCHEMBL19971244

SCHEMBL19971244

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.49
TSHR P16473 3/20 0.36
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
GRK2 P25098 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL16799129 0.87 BBOX1 (0.47) BBOX1TSHRTHRBMEN1LMNA
SCHEMBL866754 0.87 BBOX1 (0.47) BBOX1TSHRTHRBMEN1LMNA
SCHEMBL16799116 0.85 TSHR (0.47) BBOX1TSHRTHRBALDH1A1MEN1
SCHEMBL18151642 0.84 TSHR (0.50) BBOX1TSHRTHRBMEN1LMNA
SCHEMBL16799360 0.84 TSHR (0.50) BBOX1TSHRTHRBMEN1LMNA
SCHEMBL18151499 0.84 TSHR (0.50) BBOX1TSHRTHRBMEN1LMNA
SCHEMBL1547906 0.84 TSHR (0.50) BBOX1TSHRTHRBMEN1LMNA
SCHEMBL16799121 0.84 TSHR (0.50) BBOX1TSHRTHRBMEN1LMNA
SCHEMBL16798910 0.84 TSHR (0.50) BBOX1TSHRTHRBMEN1LMNA
SCHEMBL18151861 0.84 TSHR (0.50) BBOX1TSHRTHRBMEN1LMNA

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