SCHEMBL5014682

SCHEMBL5014682

CCOC(N(C)C)=[N+](C)C.CCOS(=O)(=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
EPHX2 P34913 1/20 0.31
BLM P54132 1/20 0.31

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
Trifluoromethanesulfonic Acid SCHEMBL1138043 0.81
SCHEMBL1137664 0.81 ALDH1A1 (0.33)
Iodide SCHEMBL5013840 0.79 ALDH1A1 (0.32)
Water SCHEMBL15361687 0.79 ALDH1A1 (0.32)
Hydrochloric Acid SCHEMBL15361726 0.79 ALDH1A1 (0.32)
SCHEMBL10479087 0.74
SCHEMBL7927310 0.70 CA1 (0.48) RECQLGLAHPGDTSHRMAPK1
SCHEMBL20637762 0.70 CA1 (0.48) RECQLGLAHPGDTSHRMAPK1
SCHEMBL11427865 0.70 CA1 (0.48) RECQLGLAHPGDTSHRMAPK1
SCHEMBL11882830 0.70 CA1 (0.48) RECQLGLAHPGDTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465834-B2 Bis(dimethylamino)propylthiomethylium bis(trifluoromethanesulfonyl)imide; bis(dimethylamino)ethoxymethylium bis(trifluoromethanesulfonyl)imide; stable liquid state even at low temperatures; good conductivity KANTO DENKA KOGYO CO., LTD. (JP) 2008-12-16 US disclosed
US-20050136332-A1 Bis(dimethylamino)propylthiomethylium bis(trifluoromethanesulfonyl)imide; bis(dimethylamino)ethoxymethylium bis(trifluoromethanesulfonyl)imide; stable liquid state even at low temperatures; good conductivity KANTO DENKA KOGYO CO., LTD. (JP) 2005-06-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050136332-A1 Bis(dimethylamino)propylthiomethylium bis(trifluoromethanesulfonyl)imide; bis(dimethylamino)ethoxymethylium bis(trifluoromethanesulfonyl)imide; stable liquid state even at low temperatures; good conductivity ZYX, KCNH2, KCNH3 RECQL 3343/4885GLA 4468/4885HPGD 4083/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.