SCHEMBL19971255

SCHEMBL19971255

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

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
FAAH O00519 1/20 0.30
BBOX1 O75936 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
SCHEMBL19971253 0.93
SCHEMBL19971283 0.89
SCHEMBL19971270 0.85 TSHR (0.47) TSHRBBOX1
SCHEMBL19971243 0.84 TSHR (0.33) TSHRBBOX1
SCHEMBL19971190 0.83 TSHR (0.35) TSHRFAAHBBOX1
SCHEMBL19971250 0.83 TSHR (0.38) TSHR
SCHEMBL19971188 0.82 TSHR (0.31) TSHR
SCHEMBL19971314 0.80 TSHR (0.43) TSHRBBOX1
SCHEMBL19971303 0.79 MEN1 (0.32) BBOX1
SCHEMBL19971318 0.79 BBOX1 (0.34) TSHRFAAHBBOX1

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