SCHEMBL19971184

SCHEMBL19971184

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

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
THRB P10828 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
SCHEMBL19971272 0.84 TSHR (0.40) TSHRTHRB
SCHEMBL19971195 0.83 TSHR (0.38) TSHRTHRB
SCHEMBL19971231 0.81 TSHR (0.36) TSHRTHRB
SCHEMBL19971304 0.80 TSHR (0.40) TSHRALDH1A1
SCHEMBL19971188 0.80 TSHR (0.31) TSHR
SCHEMBL19971250 0.79 TSHR (0.38) TSHRTHRB
SCHEMBL19971328 0.74 TGFBR1 (0.31)
SCHEMBL19971276 0.74 TSHR (0.41) TSHRTHRB
SCHEMBL19971244 0.74 BBOX1 (0.49) TSHRTHRBALDH1A1
SCHEMBL19971314 0.73 TSHR (0.43) TSHRTHRB

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