Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5313227

CC(C)C(=O)Nc1ccc(CN)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 1/20 0.57
▸ ITGB3 P05106 3/20 0.51
▸ ITGB1 P05556 3/20 0.51
▸ ITGAV P06756 3/20 0.51
▸ ITGA5 P08648 3/20 0.51
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ ITGB5 P18084 2/20 0.49
▸ ITGB2 P05107 1/20 0.49
▸ ITGB6 P18564 1/20 0.49
▸ ITGAL P20701 1/20 0.49
▸ HPGD P15428 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ CA12 O43570 1/20 0.48

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
SCHEMBL2642980 0.89 CA12 (0.57) MLYCDMEN1KMT2AALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL5311009 0.83 ITGB3 (0.54) ITGB3ITGB1ITGAVITGA5MEN1
Trifluoroacetic Acid SCHEMBL7417053 0.79 ITGB3 (0.53) ITGB3ITGB1ITGAVITGA5ITGB5
Trifluoroacetic Acid SCHEMBL29083316 0.78 NPC1 (0.43) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL18227059 0.76 CA12 (0.57) ITGB3ITGB1ITGAVITGA5MEN1
SCHEMBL19911172 0.76 MAPT (0.65) MLYCDMEN1KMT2AALDH1A1MAPT
SCHEMBL20865323 0.76 KMT2A (0.57) ITGB3ITGAVMEN1KMT2AALDH1A1
SCHEMBL11742987 0.76 KMT2A (0.59) MLYCDMEN1KMT2AALDH1A1MAPT
SCHEMBL21533085 0.75 PLG (0.51) MAPTRAB9ASMN1; SMN2PLGKLK1
SCHEMBL12677519 0.75 CA1 (0.63) MEN1KMT2ARAB9ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007047575-A2 PHARMACOLOGICAL TREATMENTS FOR SLEEP-RELATED BREATHING DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-04-26 — — WO disclosed
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