Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3834875

CNc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3ccnc3C)c(F)c2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.51
F2 P00734 5/20 0.51
KLKB1 P03952 8/20 0.47
F9 P00740 3/20 0.44
CARM1 Q86X55 2/20 0.44

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 SCHEMBL3829648 0.89 KLKB1 (0.62) F10F2KLKB1F9
SCHEMBL3836097 0.85 KLKB1 (0.63) F10F2KLKB1F9
SCHEMBL3829580 0.85 F10 (0.52) F10F2KLKB1F9
SCHEMBL27544240 0.79 F10 (0.62) F10F2KLKB1F9
SCHEMBL7071556 0.71 F10 (0.70) F10F2F9
SCHEMBL12361486 0.69 KLKB1 (0.75) F10KLKB1F9CARM1
SCHEMBL27519329 0.69 F10 (0.74) F10F2KLKB1
SCHEMBL27518352 0.68 F10 (0.76) F10F2KLKB1F9
SCHEMBL12589579 0.68 F10 (1.00) F10F2F9
SCHEMBL28111093 0.68 KLKB1 (0.72) KLKB1CARM1

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 5 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
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 WO disclosed