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Tetrabuthylammonium

Tetrabuthylammonium

SCHEMBL28243195

CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]4OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]3NS(=O)(=O)O)[C@H](O)[C@H]2OS(=O)(=O)O)[C@H](COS(=O)(=O)O)O[C@H]1O.CCCC[N+](CCCC)(CCCC)CCCC.[Br-]

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

The experimentally established mechanism targets of Tetrabuthylammonium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.60
▸ BDNF P23560 3/20 0.48
▸ MDK P21741 3/20 0.48
▸ PTN P21246 2/20 0.48
▸ BMP2 P12643 3/20 0.48
▸ VEGFA P15692 3/20 0.48
▸ CXCL12 P48061 3/20 0.48
▸ SHH Q15465 2/20 0.48
▸ IFNG P01579 2/20 0.46
▸ CCL2 P13500 2/20 0.46
▸ PF4 P02776 1/20 0.46
▸ SELP P16109 1/20 0.46
▸ BMP6 P22004 1/20 0.46
▸ CCL11 P51671 1/20 0.46
▸ WNT3A P56704 1/20 0.46
▸ SELPLG Q14242 1/20 0.46
▸ FGF2 P09038 5/20 0.39
▸ SERPINC1 P01008 2/20 0.37
▸ F2 P00734 1/20 0.37
▸ FGF1 P05230 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
1-Hexanol SCHEMBL28255075 0.94 F10 (0.61) F10BDNFMDKPTNBMP2
Hydroxyamine SCHEMBL28122321 0.93 F10 (0.66) F10BDNFMDKPTNBMP2
SCHEMBL28227554 0.93 F10 (0.68) F10BDNFMDKPTNBMP2
SCHEMBL543122 0.93 F10 (0.68) F10BDNFMDKPTNBMP2
SCHEMBL11557 0.93 F10 (0.68) F10BDNFMDKPTNBMP2
Tetramethylammonium Ion SCHEMBL28220467 0.92 F10 (0.65) F10BDNFMDKPTNBMP2
SCHEMBL29614646 0.92 F10 (0.67) F10BDNFMDKPTNBMP2
Bromide SCHEMBL28881717 0.92 F10 (0.58) F10BDNFMDKPTNBMP2
Hydrochloric Acid SCHEMBL28179031 0.91 F10 (0.66) F10BDNFMDKPTNBMP2
Hydrochloric Acid SCHEMBL28233049 0.91 F10 (0.66) F10BDNFMDKPTNBMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108517240-A A kind of high anti-friction wear-resistant lubricating oil and preparation method thereof 青岛科技大学 2018-09-11 — — CN disclosed