Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4612458

CCNc1cccc(CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc(OC(C)C)c(OCC)c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.79
F3 P13726 20/20 0.79
F10 P00742 16/20 0.79
F2 P00734 16/20 0.79
F11 P03951 11/20 0.79
PRSS1 P07477 1/20 0.63
PRSS2 P07478 1/20 0.63
PRSS3 P35030 1/20 0.63

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
SCHEMBL14008709 0.95 F7 (0.85) F7F3F10F2F11
Trifluoroacetic Acid SCHEMBL5008663 0.94 F7 (0.78) F7F3F10F2F11
Trifluoroacetic Acid SCHEMBL4999328 0.94 F7 (0.80) F7F3F10F2F11
Trifluoroacetic Acid SCHEMBL4999707 0.93 F7 (0.82) F7F3F10F2F11
Trifluoroacetic Acid SCHEMBL4610569 0.93 F7 (0.82) F7F3F10F2F11
Trifluoroacetic Acid SCHEMBL5009097 0.93 F7 (0.91) F7F3F10F2F11
Trifluoroacetic Acid SCHEMBL4611936 0.93 F7 (0.91) F7F3F10F2F11
Trifluoroacetic Acid SCHEMBL4999682 0.92 F7 (0.91) F7F3F10F2F11
Trifluoroacetic Acid SCHEMBL4610408 0.92 F7 (0.77) F7F3F10F2F11
Trifluoroacetic Acid SCHEMBL5006786 0.92 F7 (0.81) F7F3F10F2F11

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
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
EP-1910298-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-04-16 EP disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed