Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6170927

CCC(=O)N[C@@H](CC1=CCC(=NO)C(N)=C1C)C(=O)NCCc1ccc(-c2ccccc2C#N)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.39
PTPN1 P18031 1/20 0.38
ITGB1 P05556 2/20 0.37
ITGA4 P13612 2/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
CTSS P25774 2/20 0.35
CTSK P43235 1/20 0.35
CTSL P07711 3/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
FFAR1 O14842 1/20 0.34
AKR1B1 P15121 1/20 0.34
ECE1 P42892 1/20 0.33
CTSB P07858 1/20 0.33
ITGB7 P26010 1/20 0.33
OPRK1 P41145 1/20 0.33
ADAM17 P78536 1/20 0.33
GRIA1 P42261 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
Trifluoroacetic Acid SCHEMBL6172901 0.86 PTPN1 (0.42) MMEPTPN1ITGB1ITGA4CTSS
Trifluoroacetic Acid SCHEMBL6167997 0.78 F2 (0.37) PTPN1
Trifluoroacetic Acid SCHEMBL6164495 0.77 ITGB1 (0.34) MMEPTPN1ITGB1ITGA4ADAM17
Trifluoroacetic Acid SCHEMBL6163538 0.75 PSEN1 (0.34) MMEPTPN1ITGB1ITGA4ITGB7
Trifluoroacetic Acid SCHEMBL6166279 0.75 PTPN1 (0.35) MMEPTPN1ITGB1ITGA4ITGB3
Trifluoroacetic Acid SCHEMBL6166478 0.75 PTPN1 (0.34) MMEPTPN1ITGB1ITGA4FFAR1
Trifluoroacetic Acid SCHEMBL6165577 0.74 PSEN1 (0.34) MMEPTPN1ITGB1ITGA4CTSD
Trifluoroacetic Acid SCHEMBL6167374 0.73 MME (0.34) MMEPTPN1ITGB1ITGA4FFAR1
Trifluoroacetic Acid SCHEMBL6166166 0.72 PTPN1 (0.33) MMEPTPN1ITGB1ITGA4CTSD
Trifluoroacetic Acid SCHEMBL6170713 0.72 F2 (0.43) PTPN1ITGB3ITGA2BCTSSCTSK

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 6 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
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed