SCHEMBL19971250

SCHEMBL19971250

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
GRK2 P25098 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL19971231 0.93 TSHR (0.36) TSHRTHRB
SCHEMBL19971270 0.89 TSHR (0.47) TSHRTHRBMEN1LMNAPOLB
SCHEMBL19971195 0.87 TSHR (0.38) TSHRTHRB
SCHEMBL19971314 0.84 TSHR (0.43) TSHRTHRBPOLB
SCHEMBL19971255 0.83 TSHR (0.31) TSHR
SCHEMBL19971276 0.83 TSHR (0.41) TSHRTHRBPOLB
SCHEMBL19971254 0.83 TSHR (0.40) TSHRMEN1LMNAPOLBGRK2
SCHEMBL19971184 0.79 TSHR (0.40) TSHRTHRB
SCHEMBL19971230 0.78 TSHR (0.43) TSHRTHRBMEN1LMNAPOLB
SCHEMBL19971194 0.78 MEN1 (0.33) MEN1LMNAPOLBGRK2KMT2A

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