Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7347002

O=C(O)C(F)(F)F.O=C(O)CCNC(=O)OCc1ccccc1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.69
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CPB1 P15086 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.52
FOLH1 Q04609 4/20 0.52
TGM2 P21980 1/20 0.51
GAA P10253 1/20 0.51
MME P08473 1/20 0.51
ECE1 P42892 1/20 0.51
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 2/20 0.50
SLC1A3 P43003 1/20 0.48
SLC1A1 P43005 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
SCHEMBL127662 0.91 HTT (0.82) HTTLMNASMN1; SMN2CPB1L3MBTL1
Hydrochloric Acid SCHEMBL7400993 0.90 HTT (0.79) HTTLMNASMN1; SMN2CPB1L3MBTL1
Glycolic Acid SCHEMBL148706 0.87 HTT (0.75) HTTLMNASMN1; SMN2CPB1L3MBTL1
SCHEMBL7514786 0.85 HTT (0.73) HTTLMNASMN1; SMN2CPB1L3MBTL1
Trifluoroacetic Acid SCHEMBL5050603 0.84 HTT (0.53) HTTLMNASMN1; SMN2L3MBTL1MEN1
Trifluoroacetic Acid SCHEMBL21925541 0.82 LMNA (0.55) HTTLMNASMN1; SMN2L3MBTL1MEN1
SCHEMBL16219550 0.82 HTT (0.73) HTTLMNASMN1; SMN2CPB1L3MBTL1
SCHEMBL7347005 0.82 HTT (0.57) HTTLMNASMN1; SMN2CPB1L3MBTL1
SCHEMBL319161 0.82 HTT (1.00) HTTLMNASMN1; SMN2L3MBTL1MEN1
SCHEMBL7510972 0.81 HTT (0.67) HTTLMNASMN1; SMN2CPB1MEN1

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
WO-1998043962-A1 HETEROCYCLIC INTEGRIN INHIBITOR PRODRUGS DU PONT PHARMACEUTICALS COMPANY (US) 1998-10-08 WO disclosed
US-5721366-A PHENYLAMIDINE DERIVATIVES G. D. SEARLE & CO (US) 1998-02-24 US disclosed