SCHEMBL19971331

SCHEMBL19971331

C=CC(=O)NC(C)CC[N+](CCC)(CCC)C(C)CCS(=O)(=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
ACACB O00763 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
SCHEMBL19971179 0.93 TSHR (0.33) TSHR
SCHEMBL19971321 0.91 TSHR (0.35) TSHRACACB
SCHEMBL19971262 0.84 TSHR (0.37) TSHR
SCHEMBL19971327 0.83 TGFBR1 (0.33)
SCHEMBL19971183 0.82 ZDHHC20 (0.34) TSHR
SCHEMBL19971324 0.82 ZDHHC20 (0.43)
SCHEMBL19971219 0.81 TSHR (0.35) TSHRACACB
SCHEMBL19971296 0.79 EPHX2 (0.36) TSHRACACB
SCHEMBL19971292 0.78
SCHEMBL19971236 0.78 BBOX1 (0.39) TSHRACACB

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