Tetrabuthylammonium

Tetrabuthylammonium

SCHEMBL4640390

CCCC[N+](CCCC)(CCCC)CCCC.O=P([O-])(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.56
TSHR P16473 1/20 0.45
FUCA1 P04066 1/20 0.42
LMNA P02545 1/20 0.42
ESR1 P03372 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CDC25A P30304 1/20 0.42
AGTR1 P30556 1/20 0.42
AKT1 P31749 1/20 0.42
ADRA1A P35348 1/20 0.42
KCNH2 Q12809 1/20 0.42
DNM1 Q05193 1/20 0.41

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
Tetrabuthylammonium SCHEMBL10379555 0.91 CETP (0.56) CETPTSHRFUCA1DNM1
SCHEMBL11372702 0.87 CETP (0.56) CETPLMNAESR1ADORA3CDC25A
Tetramethylammonium Ion SCHEMBL9937868 0.82 TSHR (0.55) CETPTSHRFUCA1
SCHEMBL7861818 0.80 TSHR (0.61) CETPTSHRFUCA1LMNA
SCHEMBL5437520 0.80 TSHR (0.61) CETPTSHRFUCA1LMNA
SCHEMBL28669438 0.80 TSHR (0.61) CETPTSHRFUCA1LMNA
Potassium Ion SCHEMBL4956047 0.80 TSHR (0.61) CETPTSHRFUCA1LMNA
SCHEMBL10689581 0.80 TSHR (0.61) CETPTSHRFUCA1
SCHEMBL11756561 0.80 TSHR (0.61) CETPTSHRFUCA1LMNA
Lithium Ion SCHEMBL9446519 0.80 TSHR (0.61) CETPTSHRFUCA1LMNA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277190-A1 PRODRUGS OF COMPOUNDS THAT INHIBIT TRPV1 RECEPTOR ABBVIE INC. 2012-11-01 US disclosed
US-8232309-B2 Prodrugs of compounds that inhibit TRPV1 receptor ABBOTT LABORATORIES (US) 2012-07-31 US disclosed
EP-1957464-A1 INDAZOLE DERIVATIVES THAT INHIBIT TRPVl RECEPTOR Abbott Laboratories (US) 2008-08-20 EP disclosed
US-7335500-B2 Production of fucosylated carbohydrates by enzymatic fucosylation synthesis of sugar nucleotides; and in situ regeneration of GDP-fucose THE SCRIPPS RESEARCH INSTITUTE (US) 2008-02-26 US disclosed
WO-2007050732-A1 INDAZOLE DERIVATIVES THAT INHIBIT TRPVl RECEPTOR ABBOTT LABORATORIES (US) 2007-05-03 WO disclosed
US-20070099954-A1 Prodrugs of compounds that inhibit TRPV1 receptor ABBVIE INC. 2007-05-03 US disclosed
CN-1124846-C N, N' -bis (sulfonyl) hydrazines as antitumor agents UNIV YALE (US) 2003-10-22 CN disclosed
EP-1028721-B1 N,N'-BIS(SULFONYL)HYDRAZINES USEFUL AS ANTINEOPLASTIC AGENTS UNIV YALE (US) 2003-06-04 EP disclosed
EP-0747385-B1 Prodrugs of paclitaxel derivatives BRISTOL MYERS SQUIBB CO (US) 2002-08-14 EP disclosed
US-20020068331-A1 Production of fucosylated carbohydrates by enzymatic fucosylation synthesis of sugar nucleotides; and in situ regeneration of GDP-fucose WONG CHI-HUEY (US) 2002-06-06 US disclosed
CN-1066151-C Prodrugs of paclitaxel derivatives BRISTOL MYERS SQUIBB CO (US) 2001-05-23 CN disclosed
CN-1278169-A N, N' -bis (sulfonyl) hydrazines as antitumor agents UNIV YALE (US) 2000-12-27 CN disclosed
US-6040338-A N,n-bis(sulfonyl)hydrazines useful as antineoplastic agents YALE UNIVERSITY (US) 2000-03-21 US disclosed
CN-1237580-A Phosphononooxymethyl ethers of taxame derivatives BRISTOL MYERS SQUIBB CO (US) 1999-12-08 CN disclosed
EP-0642526-B1 PRODUCTION OF FUCOSYLATED CARBOHYDRATES BY ENZYMATIC FUCOSYLATION SYNTHESIS OF SUGAR NUCLEOTIDES; AND IN SITU REGENERATION OF GDP-FUCOSE SCRIPPS RESEARCH INST (US) 1998-12-23 EP disclosed
CN-1144805-A Prodrugs of paclitaxel derivatives BRISTOL MYERS SQUIBB CO (US) 1997-03-12 CN disclosed
EP-0747385-A1 Prodrugs of paclitaxel derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed
EP-0642526-A4 PRODUCTION OF FUCOSYLATED CARBOHYDRATES BY ENZYMATIC FUCOSYLATION SYNTHESIS OF SUGAR NUCLEOTIDES; AND IN SITU REGENERATION OF GDP-FUCOSE. SCRIPPS RESEARCH INST (US) 1996-04-10 EP disclosed
EP-0642526-A1 PRODUCTION OF FUCOSYLATED CARBOHYDRATES BY ENZYMATIC FUCOSYLATION SYNTHESIS OF SUGAR NUCLEOTIDES; AND IN SITU REGENERATION OF GDP-FUCOSE THE SCRIPPS RESEARCH INSTITUTE (US) 1995-03-15 EP disclosed
WO-1993008205-A1 PRODUCTION OF FUCOSYLATED CARBOHYDRATES BY ENZYMATIC FUCOSYLATION SYNTHESIS OF SUGAR NUCLEOTIDES; AND IN SITU REGENERATION OF GDP-FUCOSE THE SCRIPPS RESEARCH INSTITUTE (US) 1993-04-29 WO 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 (2 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-20120277190-A1 PRODRUGS OF COMPOUNDS THAT INHIBIT TRPV1 RECEPTOR TRPV1, TRPV3, TRPA1 CETP 4409/4885TSHR 2169/4885FUCA1 2731/4885
US-20070099954-A1 Prodrugs of compounds that inhibit TRPV1 receptor TRPV1, TRPV3, TRPA1 CETP 4409/4885TSHR 2169/4885FUCA1 2731/4885

“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.