Ethyl Dimethyl Ammonio Propane Sulfonate

Ethyl Dimethyl Ammonio Propane Sulfonate

SCHEMBL21714655

C=C(C)C(=O)OO.CC[N+](C)(C)CCCS(=O)(=O)O

nearest known ligand 0.44

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Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.44
TSHR P16473 2/20 0.32
DNM1 Q05193 2/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
ENPP2 Q13822 3/20 0.31
HSP90AA1 P07900 1/20 0.30
RAD52 P43351 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
Ethyl Dimethyl Ammonio Propane Sulfonate SCHEMBL366902 0.80 BBOX1 (0.63) BBOX1DNM1HTTKMT2AENPP2
Ethyl Dimethyl Ammonio Propane Sulfonate SCHEMBL28051649 0.79 BBOX1 (0.61) BBOX1DNM1HTTKMT2AENPP2
Hydrochloric Acid SCHEMBL19858647 0.78 TSHR (0.42) BBOX1TSHRHTTENPP2
SCHEMBL165948 0.78 TSHR (0.42) BBOX1TSHRHTTENPP2
SCHEMBL17108955 0.78 TSHR (0.46) BBOX1TSHRHTTENPP2
Water SCHEMBL15393133 0.77 TSHR (0.45) BBOX1TSHRHTTENPP2
Water SCHEMBL140337 0.77 TSHR (0.41) BBOX1TSHRHTTENPP2
Water SCHEMBL22773559 0.77 TSHR (0.41) BBOX1TSHRHTTENPP2
Water SCHEMBL30477711 0.76 BBOX1 (0.31) BBOX1
SCHEMBL29217621 0.75 TSHR (0.51) TSHRHTTENPP2RAD52

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200056063-A1 COATING FOR IMPLANTABLE MEDICAL DEVICE WMC GROUP LLC 2020-02-20 US disclosed