Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6638539

N=C(N)c1ccc(O)c(CCCNC(=O)c2ccc(-c3ccnnc3)cc2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.68

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.68
PRSS1 P07477 6/20 0.68
PLG P00747 1/20 0.60
PROC P04070 1/20 0.60
RAD52 P43351 1/20 0.42
UBE2N P61088 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PLAT P00750 1/20 0.41
F2 P00734 2/20 0.39
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
ITGB2 P05107 1/20 0.38
ITGAM P11215 1/20 0.38
MLYCD O95822 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38

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 SCHEMBL6642992 0.84 F10 (0.64) F10PRSS1PLGPROCRAD52
Trifluoroacetic Acid SCHEMBL7897485 0.84 F10 (0.70) F10PRSS1PLGPROCRAD52
Trifluoroacetic Acid SCHEMBL6644219 0.82 F10 (0.88) F10PRSS1PLGPROCRAD52
Trifluoroacetic Acid SCHEMBL6664969 0.82 F10 (0.88) F10PRSS1PLGPROCRAD52
Trifluoroacetic Acid SCHEMBL6638375 0.82 F10 (0.88) F10PRSS1PLGPROCF2
Trifluoroacetic Acid SCHEMBL6641128 0.81 F10 (0.67) F10PRSS1PLGPROCRAD52
Trifluoroacetic Acid SCHEMBL6644883 0.76 F10 (0.59) F10PRSS1PLGPROCITGB3
SCHEMBL6643844 0.76 F10 (0.66) F10PRSS1PLGPROCITGB3
SCHEMBL14509265 0.75 F10 (1.00) F10PRSS1PLGPROCPLAT
SCHEMBL13636886 0.74 F10 (0.74) F10PRSS1PLGPROCL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931060-A4 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES AVENTIS PHARMA INC (US) 2004-10-06 EP claimed
US-6323227-B1 PRODRUGS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-11-27 US claimed
EP-0931060-A1 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-28 EP claimed
WO-1999000356-A1 SUBSTITUTED N-[(AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1999-01-07 WO claimed
EP-0931060-A4 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES AVENTIS PHARMA INC (US) 2004-10-06 EP disclosed
US-6323227-B1 PRODRUGS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-11-27 US disclosed
EP-0931060-A1 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-28 EP disclosed
WO-1999000356-A1 SUBSTITUTED N-[(AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1999-01-07 WO disclosed