Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6512182

COc1cc(CN(SCCc2ccc(Cl)cc2)C(N)=O)ccc1OCC[N+](C)(C)C.O=C([O-])C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
CXCR3 P49682 3/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 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
Trifluoroacetic Acid SCHEMBL6512188 0.83 ELANE (0.41) CXCR3L3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL19639303 0.64 HDAC1 (0.48) MRGPRX4GAAL3MBTL1ALDH1A1KDM4E
SCHEMBL6471940 0.63 MTNR1A (0.47) GAAALDH1A1SMN1; SMN2
SCHEMBL6517193 0.63 ALDH1A1 (0.44) GAAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL5145308 0.62 ADRB2 (0.53) DRD2DRD3GAAALDH1A1KDM4E
SCHEMBL6471647 0.62 MEN1 (0.44) GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL6470333 0.61 MEN1 (0.46) GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL6469945 0.61 HTR2A (0.45) GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL19375890 0.60 GAA (0.63) GAAALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL31657815 0.60 GAA (0.63) GAAALDH1A1KDM4ELMNASMN1; SMN2

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
US-20050031717-A1 Using capsaicin receptors; complexing VIRGINIA COMMONWEALTH UNIVERSITY 2005-02-10 US disclosed