Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6132482

CCOC(=O)c1ccc(-c2cn3nc(-c4ccc(C5CCN(C6CCCCC6)CC5)cc4)sc3n2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
TP53 P04637 1/20 0.37
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
THRB P10828 2/20 0.37
FDFT1 P37268 1/20 0.37
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
MAPT P10636 4/20 0.37
ENPP2 Q13822 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36

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 SCHEMBL7320929 0.90 ALDH1A1 (0.42) POLBALDH1A1OPRM1OPRD1OPRK1
Trifluoroacetic Acid SCHEMBL6937886 0.89 TP53 (0.42) TP53CA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL6135147 0.87 MAPT (0.41) POLBALDH1A1OPRM1OPRD1OPRK1
SCHEMBL6134926 0.84 HRH3 (0.46) POLBALDH1A1OPRM1OPRD1OPRK1
Trifluoroacetic Acid SCHEMBL7318099 0.84 F2RL3 (0.41) TP53DPP4DPP7THRBCA12
Trifluoroacetic Acid SCHEMBL6135113 0.83 MAPT (0.40) TP53DPP4DPP7FDFT1CA12
Hydrochloric Acid SCHEMBL6132465 0.83 TP53 (0.46) POLBTP53CA12CA1CA2
Trifluoroacetic Acid SCHEMBL6132355 0.83 MAPT (0.38) POLBALDH1A1TP53DPP4DPP7
Trifluoroacetic Acid SCHEMBL7325659 0.83 SIRT2 (0.46) ALDH1A1TP53THRBCA12CA1
Trifluoroacetic Acid SCHEMBL6132999 0.82 SIRT2 (0.40) POLBTP53DPP4DPP7THRB

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
US-6884774-B2 Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-26 US disclosed
EP-1259535-B1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-04-13 EP disclosed