Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30862015

O=C(Nc1ccc2nncn2c1)c1ccc(Cc2cccc(Cl)c2)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 5/20 0.51
MAOB P27338 1/20 0.43
FFAR1 O14842 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
SLC2A1 P11166 3/20 0.40
P4HTM Q9NXG6 1/20 0.38
SNCA P37840 1/20 0.38
HIF1A Q16665 2/20 0.38
MLLT3 P42568 1/20 0.37
EPAS1 Q99814 1/20 0.37
NR2E1 Q9Y466 1/20 0.37
LMNA P02545 1/20 0.37
AHR P35869 1/20 0.36
NAMPT P43490 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
SCHEMBL21394485 0.94 MLLT1 (0.57) MLLT1MAOBFFAR1EGLN1P4HTM
Trifluoroacetic Acid SCHEMBL28534473 0.79 TRPV1 (0.45) FFAR1SLC2A1P4HTMSNCAHIF1A
Trifluoroacetic Acid SCHEMBL29442829 0.79 TRPV1 (0.45) FFAR1SLC2A1P4HTMSNCAHIF1A
SCHEMBL29357058 0.78 MLLT1 (0.62) MLLT1MAOBMLLT3NAMPT
SCHEMBL21394869 0.78 MLLT1 (0.62) MLLT1MAOBMLLT3NAMPT
SCHEMBL21394811 0.75 ALDH1A1 (0.44) FFAR1P4HTMSNCAHIF1ALMNA
SCHEMBL29357022 0.75 ALDH1A1 (0.44) FFAR1P4HTMSNCAHIF1ALMNA
SCHEMBL22750927 0.73 MLLT1 (0.76) MLLT1MAOBEGLN1LMNA
SCHEMBL21395249 0.73 LMNA (0.41) FFAR1P4HTMSNCAHIF1ALMNA
SCHEMBL28534471 0.72 SGMS2 (0.42) FFAR1P4HTMSNCAHIF1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed