Tributylmethylammonium

Tributylmethylammonium

SCHEMBL9935355

C=CCCS(=O)(=O)O.CCCC[N+](C)(CCCC)CCCC

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHX2 P34913 1/20 0.36
ENPP2 Q13822 4/20 0.35

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
Tributylmethylammonium SCHEMBL9935351 0.83 BBOX1 (0.42) TSHRALDH1A1EPHX2ENPP2
Tributylmethylammonium SCHEMBL9936102 0.82 ENPP2 (0.33) TSHRALDH1A1ENPP2
SCHEMBL9935746 0.82 TSHR (0.32) TSHRALDH1A1
Tributylmethylammonium SCHEMBL27831904 0.78 EPHX2 (0.46) EPHX2ENPP2
Tributylmethylammonium SCHEMBL1627727 0.77 TP53 (0.41) ENPP2
SCHEMBL720286 0.77
Tributylmethylammonium SCHEMBL28478908 0.75 TP53 (0.40) ENPP2
Tributylmethylammonium SCHEMBL1618263 0.75 SLC22A1 (0.39) ENPP2
SCHEMBL1680935 0.74
SCHEMBL332175 0.74 DNM1 (0.43) ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546609-B2 Ionic liquid containing allylsulfonate anion WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
EP-2474527-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION Wako Pure Chemical Industries, Ltd. (JP) 2012-07-11 EP disclosed
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-21 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-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION ATXN2L, ARL1, INPPL1 TSHR 2384/4885ALDH1A1 3717/4885EPHX2 4160/4885

“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.