Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6166475

CCOC(=O)c1c(Cc2ccccc2)c[nH]c1Cc1cccc(C(=N)N)c1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
PRSS1 P07477 2/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
F10 P00742 7/20 0.44
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
F2 P00734 4/20 0.41
ALOX5 P09917 4/20 0.39
PTGES O14684 1/20 0.39
F3 P13726 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRB2 P47870 1/20 0.38
PDE3B Q13370 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL6161730 0.98 MAPT (0.49) SMN1; SMN2MAPTMAPK1PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6162234 0.96 SMN1; SMN2 (0.48) SMN1; SMN2MAPTMAPK1PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6163464 0.95 SMN1; SMN2 (0.47) SMN1; SMN2MAPTMAPK1PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6163059 0.94 SMN1; SMN2 (0.47) SMN1; SMN2MAPTMAPK1PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6166105 0.93 SMN1; SMN2 (0.46) SMN1; SMN2MAPTMAPK1PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6161633 0.93 F10 (0.46) SMN1; SMN2MAPTMAPK1PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6168271 0.93 SMN1; SMN2 (0.46) SMN1; SMN2MAPTMAPK1PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6163644 0.92 SMN1; SMN2 (0.44) SMN1; SMN2MAPTMAPK1PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6165952 0.92 SMN1; SMN2 (0.46) SMN1; SMN2MAPTMAPK1PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6166062 0.91 SMN1; SMN2 (0.44) SMN1; SMN2MAPTMAPK1PRSS1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP claimed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP claimed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO claimed