Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL25368073

NC(=O)C(CCCN=C(N)CF)NC(=O)c1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 11/20 1.00
PADI1 Q9ULC6 8/20 1.00
PADI2 Q9Y2J8 6/20 1.00
PDE4A P27815 3/20 0.89
PDE4B Q07343 2/20 0.89
PDE4C Q08493 2/20 0.89
PDE4D Q08499 2/20 0.89
PADI3 Q9ULW8 6/20 0.82
PADI6 Q6TGC4 2/20 0.70
CA12 O43570 3/20 0.55
CA1 P00915 3/20 0.55
CA9 Q16790 3/20 0.55
C3AR1 Q16581 1/20 0.50
CA2 P00918 2/20 0.48
F2 P00734 1/20 0.45

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
SCHEMBL29392045 0.94 PADI4 (1.00) PADI4PADI1PADI2PDE4APDE4B
Trifluoroacetic Acid SCHEMBL29636638 0.90 PADI4 (1.00) PADI4PADI1PADI2PDE4APDE4B
SCHEMBL31378276 0.82 PADI4 (1.00) PADI4PADI1PADI2PDE4APDE4B
SCHEMBL31378277 0.82 PADI4 (1.00) PADI4PADI1PADI2PDE4APDE4B
SCHEMBL30228663 0.82 PADI4 (1.00) PADI4PADI1PADI2PDE4APDE4B
Trifluoroacetic Acid SCHEMBL18730598 0.79 PADI4 (0.66) PADI4PADI1PADI2PDE4APDE4B
SCHEMBL1736671 0.74 C3AR1 (0.81) PADI4PADI1PADI2PDE4APDE4B
SCHEMBL29402239 0.74 C3AR1 (0.81) PADI4PADI1PADI2PDE4APDE4B
SCHEMBL1981102 0.74 PADI4 (0.65) PADI4PADI1PADI2PDE4APDE4B
SCHEMBL4181143 0.73 PADI1 (0.62) PADI4PADI1PADI2PDE4APDE4B

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-20230265432-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE MYELOID LEUKEMIA Sanford Burnham Prebys Medical Discovery Institute 2023-08-24 US disclosed