SCHEMBL19971318

SCHEMBL19971318

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

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.34
TSHR P16473 2/20 0.33
FAAH O00519 1/20 0.32

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
SCHEMBL19971190 0.95 TSHR (0.35) BBOX1TSHRFAAH
SCHEMBL19971290 0.91 BBOX1 (0.38) BBOX1
SCHEMBL19971186 0.84 BBOX1 (0.43) BBOX1TSHR
SCHEMBL19971299 0.83 BBOX1 (0.34) BBOX1TSHR
SCHEMBL19971253 0.81
SCHEMBL19971222 0.80 TSHR (0.53) BBOX1TSHR
SCHEMBL19971217 0.79 BBOX1 (0.35) BBOX1
SCHEMBL19971255 0.79 TSHR (0.31) BBOX1TSHRFAAH
SCHEMBL19971188 0.79 TSHR (0.31) TSHR
SCHEMBL19971317 0.78 TSHR (0.40) BBOX1TSHR

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