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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6436624

N#Cc1ccc(CNC(=O)c2cc3cc(N)ccc3n2Cc2cccc(C#N)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 10/20 0.67
▸ F2 P00734 5/20 0.59
▸ CCR2 P41597 1/20 0.52
▸ CNR1 P21554 8/20 0.52
▸ KLKB1 P03952 1/20 0.48
▸ KLK1 P06870 1/20 0.48

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 SCHEMBL6433228 0.96 F10 (0.72) F10F2CCR2CNR1
Trifluoroacetic Acid SCHEMBL6436827 0.86 CCR2 (0.69) F10F2CCR2CNR1
SCHEMBL6432496 0.83 F10 (0.62) F10F2CCR2CNR1KLKB1
Trifluoroacetic Acid SCHEMBL6432601 0.81 F10 (0.77) F10F2
Trifluoroacetic Acid SCHEMBL6439393 0.81 F10 (0.92) F10F2
Trifluoroacetic Acid SCHEMBL6433147 0.81 CCR2 (0.54) F10F2CCR2CNR1
SCHEMBL6436698 0.81 F10 (0.66) F10F2CCR2CNR1KLKB1
SCHEMBL6433082 0.81 CCR2 (0.78) F10F2CCR2
Trifluoroacetic Acid SCHEMBL6437256 0.80 F10 (1.00) F10F2
Trifluoroacetic Acid SCHEMBL6436682 0.80 F10 (0.84) F10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042287-B1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA AVENTIS PHARMA GMBH (DE) 2005-04-20 — — EP disclosed
US-6337344-B1 ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-08 — — US disclosed