Tetrylammonium

Tetrylammonium

SCHEMBL8395159

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

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.41
KCNH2 Q12809 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL5076441 0.91 KIF11 (0.47) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Tetramethylammonium Ion SCHEMBL8395517 0.90 KIF11 (0.44) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL5916248 0.90 KIF11 (0.46) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Tetrabuthylammonium SCHEMBL8400042 0.88 KIF11 (0.38) KIF11
Tetrylammonium SCHEMBL1146291 0.87 KIF11 (0.41) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL8399302 0.87 KIF11 (0.38) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL625253 0.79 LMNA (0.36) KIF11KCNH2
Tetrabuthylammonium SCHEMBL5715562 0.77 HDAC3 (0.34)
SCHEMBL8652186 0.77 NQO1 (0.42) KIF11KCNH2
SCHEMBL5528724 0.76 KIF11 (0.53) KIF11KCNH2

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