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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6429332

CC(CN)N(C(=O)c1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)sc1C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL2250714 0.95 IKBKB (0.38) IKBKBCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13715847 0.86 KDM4E (0.38) IKBKBCYP1A2CYP2C9CYP3A4
SCHEMBL2158749 0.86 CYP3A4 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL2157576 0.86 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
Trifluoroacetic Acid SCHEMBL2881554 0.85 P2RX7 (0.33) IKBKB
SCHEMBL14030986 0.84 CYP1A2 (0.36) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL2158689 0.84 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2874891 0.84 CYP3A4 (0.36) IKBKBCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2157982 0.84 ALDH1A1 (0.41) —
SCHEMBL2871255 0.84 CYP1A2 (0.36) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4

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-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 — — US claimed