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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4963709

CC(C)CCN(C)Cc1ccc2c(c1)CCc1cc(OC(N)=O)ccc1O2.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.34
▸ CACNA1B Q00975 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ F3 P13726 1/20 0.32
▸ S1PR1 P21453 1/20 0.31
▸ S1PR3 Q99500 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31
▸ SLC6A9 P48067 1/20 0.31

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 SCHEMBL4967345 0.86 TRPM8 (0.37) KCNH2MAPTTSHR
SCHEMBL4965899 0.80 CXCR3 (0.33) MMP2MMP13LMNAHTT
SCHEMBL14369641 0.78 OPRM1 (0.39) MMP2MMP13ACHEMAPTTSHR
SCHEMBL4967356 0.78 KCNH2 (0.34) KCNH2
SCHEMBL4968447 0.78 BCHE (0.35) ACHE
SCHEMBL4965646 0.76 OPRM1 (0.41) LMNAHTTMAPT
Hydrochloric Acid SCHEMBL4965277 0.75 OPRM1 (0.41) LMNAHTTMAPT
SCHEMBL4966629 0.74 SLC2A1 (0.37) LMNAHTTMAPTS1PR1S1PR3
SCHEMBL4971525 0.74 OPRM1 (0.40) HTTMAPTTSHR
SCHEMBL14369648 0.73 F2 (0.34) KCNH2MMP2MMP13MAPTTSHR

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-1730140-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-06-25 — — EP claimed