Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL25322918

CC1CCC(c2cncc(C(F)(F)F)c2)=NC1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 6/20 0.39
▸ GRIN2B Q13224 4/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ IDH1 O75874 1/20 0.37
▸ WNT1 P04628 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.35
▸ PARP11 Q9NR21 1/20 0.35
▸ PTGS2 P35354 5/20 0.35
▸ CYP11B1 P15538 2/20 0.35
▸ PTGES O14684 2/20 0.34
▸ AKR1C3 P42330 1/20 0.34

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
SCHEMBL30550980 0.91 IDH1 (0.41) CYP11B2GRIN2BIDH1PARP10PARP11
SCHEMBL25322415 0.91 IDH1 (0.41) CYP11B2GRIN2BIDH1PARP10PARP11
SCHEMBL25322417 0.91 IDH1 (0.41) CYP11B2GRIN2BIDH1PARP10PARP11
Trifluoroacetic Acid SCHEMBL25323426 0.84 SLC22A12 (0.39) CYP11B2DYRK1ACYP11B1
Trifluoroacetic Acid SCHEMBL25324225 0.76 NPC1 (0.39) —
Trifluoroacetic Acid SCHEMBL25322362 0.76 EGFR (0.38) —
Trifluoroacetic Acid SCHEMBL25322512 0.75 CHRNB4 (0.44) GRIN2B
SCHEMBL25323877 0.74 NOS3 (0.37) CYP11B2PARP10PARP11CYP11B1
SCHEMBL25323875 0.74 NOS3 (0.37) CYP11B2PARP10PARP11CYP11B1
SCHEMBL30551484 0.74 NOS3 (0.37) CYP11B2PARP10PARP11CYP11B1

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
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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