Tetrabuthylammonium

Tetrabuthylammonium

SCHEMBL6431277

CCCC[N+](CCCC)(CCCC)CCCC.Cc1ccc([O-])cc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.50
SLC22A2 O15244 1/20 0.44
TSHR P16473 2/20 0.41
HIF1A Q16665 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 2/20 0.40
KCNH2 Q12809 2/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
DNM1 Q05193 4/20 0.38
MCHR1 Q99705 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36

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 SCHEMBL8027007 0.89 SLC22A1 (0.63) SLC22A1SLC22A2TSHRHIF1AALDH1A1
Tetrabuthylammonium SCHEMBL11884927 0.82 SLC22A1 (0.48) SLC22A1SLC22A2TSHRHIF1AALDH1A1
Tetrabuthylammonium SCHEMBL28464494 0.82 SLC22A1 (0.48) SLC22A1SLC22A2TSHRHIF1AALDH1A1
Tetrabuthylammonium SCHEMBL887137 0.81 SLC22A1 (0.52) SLC22A1SLC22A2TSHRHIF1AALDH1A1
Tetrabuthylammonium SCHEMBL7890102 0.79 SLC22A1 (0.44) SLC22A1SLC22A2TSHRHIF1AALDH1A1
Tetrabuthylammonium SCHEMBL11246970 0.78 SLC22A1 (0.55) SLC22A1SLC22A2TSHRHIF1AALDH1A1
P-Cresol SCHEMBL28439797 0.78 HTT (0.42) TSHRALDH1A1SMN1; SMN2HTTKCNH2
Tetrabuthylammonium SCHEMBL8568113 0.78 SLC22A1 (0.48) SLC22A1SLC22A2TSHRHIF1AALDH1A1
Tetrabuthylammonium SCHEMBL2000679 0.77 SLC22A1 (0.43) SLC22A1SLC22A2TSHRHIF1AALDH1A1
Tetrabuthylammonium SCHEMBL157620 0.77 LMNA (0.61) SLC22A1TSHRHIF1AALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005645-B1 OPTICAL CARBON DIOXIDE SENSOR NOVARTIS AG (CH) 2005-04-27 EP disclosed
US-6338822-B1 POLYMER AS A BASE SUBSTANCE, AN ANIONIC FLUORESCENCE DYE, LIGHT-SENSITIVE LAYER ALSO CONTAINS A QUATERNARY ONIUM PHENOLATE. NOVARTIS AG (CH) 2002-01-15 US disclosed
EP-1005645-A1 OPTICAL CARBON DIOXIDE SENSORS Novartis AG (CH) 2000-06-07 EP disclosed
WO-1999009406-A1 OPTICAL CARBON DIOXIDE SENSORS NOVARTIS AG (CH) 1999-02-25 WO disclosed