Tetrabuthylammonium

Tetrabuthylammonium

SCHEMBL8400042

CCCC[N+](CCCC)(CCCC)CCCC.Cc1ccc(C(CCCOB(O)O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.38
ESR1 P03372 4/20 0.32
SLC22A1 O15245 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CNR2 P34972 2/20 0.31
CNR1 P21554 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL8399302 0.96 KIF11 (0.38) KIF11ESR1SLC22A1L3MBTL1CNR2
Tetrabuthylammonium SCHEMBL5715562 0.90 HDAC3 (0.34) SLC22A1
Tetrabuthylammonium SCHEMBL3403042 0.88 KIF11 (0.38) KIF11ESR1SLC22A1CNR1
Tetrylammonium SCHEMBL8395159 0.88 KIF11 (0.41) KIF11
SCHEMBL5076441 0.87 KIF11 (0.47) KIF11
Tetrabuthylammonium SCHEMBL6928151 0.86 ALDH1A1 (0.38) L3MBTL1
Tetramethylammonium Ion SCHEMBL8395517 0.86 KIF11 (0.44) KIF11
SCHEMBL5916248 0.86 KIF11 (0.46) KIF11
SCHEMBL8398587 0.84 CHRM2 (0.39) KIF11ESR1SLC22A1CNR1
Tetrabuthylammonium SCHEMBL6933663 0.80 KIF11 (0.34) KIF11CNR2CNR1

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
EP-0613058-B1 Light-decolorizable recording material SHOWA DENKO KK (JP) 1999-06-02 EP disclosed
US-5846682-A Light decolorizable recording material, ink and toner SHOWA DENKO K.K. (JP) 1998-12-08 US disclosed
EP-0613058-A1 Light-decolorizable recording material SHOWA DENKO KABUSHIKI KAISHA (JP) 1994-08-31 EP disclosed