SCHEMBL19971256

SCHEMBL19971256

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

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.39
TGFBR1 P36897 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL19971247 0.91 BBOX1 (0.35) BBOX1TGFBR1
SCHEMBL19971217 0.91 BBOX1 (0.35) BBOX1TGFBR1
SCHEMBL19971245 0.86 BBOX1 (0.43) BBOX1TGFBR1
SCHEMBL19971236 0.82 BBOX1 (0.39) BBOX1SMN1; SMN2RXFP1
Hydrochloric Acid SCHEMBL6118065 0.82 TGFBR1 (0.39) TGFBR1SMN1; SMN2
SCHEMBL19971209 0.81 TGFBR1 (0.33) TGFBR1
SCHEMBL19971333 0.80 BBOX1 (0.41) BBOX1TGFBR1SMN1; SMN2RXFP1
SCHEMBL19971261 0.79 BBOX1 (0.42) BBOX1TGFBR1SMN1; SMN2RXFP1
SCHEMBL19971290 0.79 BBOX1 (0.38) BBOX1SMN1; SMN2RXFP1
SCHEMBL19971303 0.78 MEN1 (0.32) BBOX1TGFBR1

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