Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL16700997

CC[n+]1ccccc1C.O=C([O-])C(F)(F)F

nearest known ligand 0.42

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 8/20 0.39
THRB P10828 1/20 0.36
CYP2C19 P33261 1/20 0.35
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34
MMP14 P50281 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KCNN1 Q92952 1/20 0.33

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
Trifluoromethanesulfonic Acid SCHEMBL16700581 0.81 NPC1 (0.42) SMN1; SMN2NPC1POLBRAB9A
SCHEMBL29822577 0.80
SCHEMBL627705 0.80
Iodide SCHEMBL4316516 0.78 RAB9A (0.57) SMN1; SMN2NPC1POLBRAB9AKMT2A
Bromide SCHEMBL636878 0.78 NPC1 (0.63) SMN1; SMN2NPC1POLBRAB9AKMT2A
Bromide SCHEMBL29573873 0.78 NPC1 (0.63) SMN1; SMN2NPC1POLBRAB9AKMT2A
Fluoride Ion SCHEMBL9326053 0.78 RAB9A (0.57) SMN1; SMN2NPC1POLBRAB9AKMT2A
Hydrochloric Acid SCHEMBL338519 0.78 SMN1; SMN2 (0.57) SMN1; SMN2NPC1POLBRAB9AKMT2A
Trifluoroacetic Acid SCHEMBL2158133 0.78 NPSR1 (0.38) NPSR1KCNN1
SCHEMBL8505609 0.77 SMN1; SMN2 (0.52) SMN1; SMN2NPC1POLBRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3244987-B1 SEPARATIONS WITH IONIC LIQUID SOLVENTS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2022-06-22 EP claimed
EP-3244987-A1 SEPARATIONS WITH IONIC LIQUID SOLVENTS Chevron Phillips Chemical Company LP (US) 2017-11-22 EP claimed
US-20150133711-A1 Separations With Ionic Liquid Solvents CHEVRON PHILLIPS CHEMICAL COMPANY LP 2015-05-14 US claimed
EP-3244987-B1 SEPARATIONS WITH IONIC LIQUID SOLVENTS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2022-06-22 EP disclosed
US-10227274-B2 Separations with ionic liquid solvents CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2019-03-12 US disclosed
EP-3244987-A1 SEPARATIONS WITH IONIC LIQUID SOLVENTS Chevron Phillips Chemical Company LP (US) 2017-11-22 EP disclosed
US-20150133711-A1 Separations With Ionic Liquid Solvents CHEVRON PHILLIPS CHEMICAL COMPANY LP 2015-05-14 US disclosed