Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4409146

CSc1sc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2c1C(=O)CCC2.N#CC1(c2cccc(CN)c2)CCN(C(=O)c2cncc(CCc3ccccc3)c2)CC1.NCc1cccc(C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.37
TPSAB1 Q15661 17/20 0.36
F11 P03951 1/20 0.35

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
SCHEMBL1384618 0.84 F11 (0.44) F10TPSAB1F11
Trifluoroacetic Acid SCHEMBL1382520 0.80 TPSAB1 (0.52) TPSAB1
SCHEMBL4403180 0.75 CYP3A4 (0.49) TPSAB1
Trifluoroacetic Acid SCHEMBL1381412 0.73 TPSAB1 (0.51) TPSAB1
SCHEMBL4395821 0.73 CA12 (0.48) F11
Trifluoroacetic Acid SCHEMBL1382249 0.73 TPSAB1 (0.51) TPSAB1
Trifluoroacetic Acid SCHEMBL6317047 0.71 TPSAB1 (0.51) TPSAB1
Trifluoroacetic Acid SCHEMBL4399218 0.71 TPSAB1 (0.61) F10TPSAB1
SCHEMBL7021172 0.69 TPSAB1 (0.53) F10TPSAB1
Trifluoroacetic Acid SCHEMBL1380703 0.69 LMNA (0.47) TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP disclosed