Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3835638

Cc1cc(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)n(-c2cccc(C(=N)N)c2)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.59
F2 P00734 11/20 0.59
PRSS1 P07477 10/20 0.59
PRSS2 P07478 10/20 0.59
PRSS3 P35030 10/20 0.59
F9 P00740 3/20 0.52
HTT P42858 1/20 0.47
MAPK13 O15264 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK10 P53779 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL3833321 0.95 F10 (0.63) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL3830432 0.87 KLKB1 (0.51) F10F2PRSS1PRSS2PRSS3
SCHEMBL3830087 0.87 F10 (0.63) F10F2PRSS1PRSS2PRSS3
SCHEMBL3830187 0.85 F10 (0.72) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL3830314 0.84 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL3830373 0.82 F10 (0.54) F10F2PRSS1PRSS2PRSS3
SCHEMBL3831670 0.80 F10 (0.53) F10F2PRSS1PRSS2PRSS3
SCHEMBL3830129 0.80 F10 (0.60) F10F2PRSS1PRSS2PRSS3
SCHEMBL3834867 0.79 F10 (0.68) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL3829623 0.78 F10 (0.65) F10F2PRSS1PRSS2PRSS3

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-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 EP disclosed
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US disclosed