Tetrabuthylammonium

Tetrabuthylammonium

SCHEMBL21986273

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

nearest known ligand 0.71

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.71
SLC22A2 O15244 1/20 0.61
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
ALOX12 P18054 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HIF1A Q16665 1/20 0.55
HSD17B10 Q99714 1/20 0.55
DNM1 Q05193 5/20 0.50
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
AKR1B1 P15121 1/20 0.43

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 SCHEMBL27612474 0.97 SLC22A1 (0.67) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrabuthylammonium SCHEMBL19132143 0.92 SLC22A1 (0.67) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrabuthylammonium SCHEMBL6356120 0.92 SLC22A1 (0.67) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrabuthylammonium SCHEMBL28430098 0.89 SLC22A1 (0.63) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrabuthylammonium SCHEMBL36122 0.89 SLC22A1 (0.63) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrabuthylammonium SCHEMBL29031096 0.89 SLC22A1 (0.63) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrabuthylammonium SCHEMBL9119754 0.89 SLC22A1 (0.63) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrabuthylammonium SCHEMBL9118025 0.89 SLC22A1 (0.63) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrabuthylammonium SCHEMBL28393823 0.89 SLC22A1 (0.63) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrabuthylammonium SCHEMBL29563334 0.89 SLC22A1 (0.63) SLC22A1SLC22A2ALDH1A1TP53CYP3A4

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
US-20200190261-A1 METHOD FOR PRODUCING POLYMERIC RING-OPENING PRODUCTS COVESTRO DEUTSCHLAND AG (DE) 2020-06-18 US claimed
EP-3497148-B1 METHOD FOR THE PREPARATION OF POLYMER RING OPENING PRODUCTS COVESTRO DEUTSCHLAND AG (DE) 2020-06-03 EP claimed
US-20200190261-A1 METHOD FOR PRODUCING POLYMERIC RING-OPENING PRODUCTS COVESTRO DEUTSCHLAND AG (DE) 2020-06-18 US disclosed
CN-102597156-A Method of using hydrofluoroethers as heat transfer fluids 3M INNOVATIVE PROPERTIES CO 2012-07-18 CN disclosed