SCHEMBL19971229

SCHEMBL19971229

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.42
TSHR P16473 3/20 0.37
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL19971230 0.90 TSHR (0.43) BBOX1TSHRTHRB
SCHEMBL19971317 0.90 TSHR (0.40) BBOX1TSHRTHRB
SCHEMBL19971203 0.87 TSHR (0.46) BBOX1TSHRTHRBSMN1; SMN2RXFP1
SCHEMBL25625858 0.83 THRB (0.47) BBOX1TSHRTHRBSMN1; SMN2RXFP1
SCHEMBL19971244 0.82 BBOX1 (0.49) BBOX1TSHRTHRBALDH1A1
SCHEMBL19971174 0.81 TSHR (0.56) BBOX1TSHRTHRBALDH1A1
SCHEMBL19971222 0.81 TSHR (0.53) BBOX1TSHRTHRBALDH1A1
SCHEMBL19971271 0.80 BBOX1 (0.42) BBOX1TSHRTHRBSMN1; SMN2RXFP1
SCHEMBL10797182 0.79 THRB (0.39) TSHRTHRBALDH1A1
SCHEMBL3477020 0.78 THRB (0.48) TSHRTHRBALDH1A1

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