Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7806342

CC(CN(CC(=O)O)CC(Cc1ccc([N+](=O)[O-])cc1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.40

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
KCNJ1 P48048 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL405660 0.95 KCNH2 (0.44) KCNH2MEN1KMT2AMAOBNPC1
SCHEMBL438993 0.95 KCNH2 (0.44) KCNH2MEN1KMT2AMAOBNPC1
SCHEMBL14598859 0.95 KCNH2 (0.44) KCNH2MEN1KMT2AMAOBNPC1
SCHEMBL9136144 0.85 KCNH2 (0.49) KCNH2MEN1KMT2AMAOBNPC1
Trifluoroacetic Acid SCHEMBL7803888 0.85 ITGB1 (0.33) MAOBNPC1RAB9A
SCHEMBL10494760 0.82 KCNH2 (0.49) KCNH2MEN1KMT2AMAOBNPC1
SCHEMBL438991 0.80 MEN1 (0.43) KCNH2MEN1KMT2AMAOBNPC1
SCHEMBL438992 0.80 MEN1 (0.43) KCNH2MEN1KMT2AMAOBNPC1
SCHEMBL7804379 0.80 NR1D1 (0.50) MEN1KMT2AMAOBNPC1TP53
SCHEMBL6527472 0.80 KCNH2 (0.47) KCNH2MEN1KMT2AMAOBNPC1

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
US-6207858-B1 ELIMINATES THE NEED FOR ION EXCHANGE CHROMOTOGRAPHIC SEPARATION OF INTERMEDIATES, USEFUL AS BI-FUNCTIONAL CHELATORS IN RADIOIMMUNOTHERAPY AND IMAGING, DIETHYLENETRIAMINEPENTAACETIC ACID (DTPA), SUITABLE FOR IDEC PHARMACEUTICALS CORPORATION 2001-03-27 US claimed
US-6207858-B1 ELIMINATES THE NEED FOR ION EXCHANGE CHROMOTOGRAPHIC SEPARATION OF INTERMEDIATES, USEFUL AS BI-FUNCTIONAL CHELATORS IN RADIOIMMUNOTHERAPY AND IMAGING, DIETHYLENETRIAMINEPENTAACETIC ACID (DTPA), SUITABLE FOR IDEC PHARMACEUTICALS CORPORATION 2001-03-27 US disclosed