Tetrylammonium

Tetrylammonium

SCHEMBL8030879

CC[N+](CC)(CC)CC.O=C([O-])C(=O)[O-].[H+]

nearest known ligand 0.50

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Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

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

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
NFKB1 P19838 2/20 0.50
KCNA1 Q09470 1/20 0.50
KDM4E B2RXH2 1/20 0.47
PMP22 Q01453 1/20 0.47
ATM Q13315 1/20 0.47
CA4 P22748 3/20 0.41
FAHD1 Q6P587 1/20 0.41
FFAR3 O14843 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
BBOX1 O75936 3/20 0.36
CA1 P00915 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CYP3A4 P08684 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
Tetrylammonium SCHEMBL36800 0.97 TSHR (0.53) TSHRNFKB1KCNA1KDM4EPMP22
Tetrylammonium SCHEMBL31190071 0.94 TSHR (0.50) TSHRNFKB1KCNA1KDM4EPMP22
Tetrylammonium SCHEMBL27941271 0.94 TSHR (0.50) TSHRNFKB1KCNA1KDM4EPMP22
Tetrylammonium SCHEMBL27877460 0.94 TSHR (0.50) TSHRNFKB1KCNA1KDM4EPMP22
Tetrylammonium SCHEMBL3279281 0.90 TSHR (0.53) TSHRNFKB1KCNA1KDM4EPMP22
Tetrylammonium SCHEMBL28075425 0.88 TSHR (0.44) TSHRNFKB1KCNA1KDM4EPMP22
Tetrylammonium SCHEMBL4559137 0.88 TSHR (0.44) TSHRNFKB1KCNA1KDM4EPMP22
Tetrylammonium SCHEMBL168440 0.87 TSHR (0.57) TSHRNFKB1KCNA1KDM4EPMP22
Tetrylammonium SCHEMBL17258324 0.86 TSHR (0.42) TSHRNFKB1KCNA1KDM4EPMP22
Tetrylammonium SCHEMBL7981487 0.85 CA4 (0.59) TSHRNFKB1KCNA1KDM4EPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684619-B1 Ion-conductive polymer electrolyte and electrolytic capacitor using the same MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2000-03-08 EP disclosed
US-4377451-A Electrochemical conversion of conjugated dienes into alkadienedioic acids SHELL OIL COMPANY (US) 1983-03-22 US disclosed