Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL28512172

O=C(O)C(F)(F)F.O=C(O)CN1CCn2cnnc2C1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.42
DPP8 Q6V1X1 3/20 0.42
EPHX2 P34913 1/20 0.37
LTA4H P09960 2/20 0.35
NAMPT P43490 1/20 0.34
PDPK1 O15530 1/20 0.34
PARP1 P09874 1/20 0.33
RBP4 P02753 1/20 0.33
SCN9A Q15858 1/20 0.32
NOTUM Q6P988 1/20 0.31
AMY1A P0DUB6 1/20 0.31
PTPN1 P18031 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
SCHEMBL28512170 0.81 EPHX2 (0.37) DPP4DPP8EPHX2LTA4HNAMPT
Trifluoroacetic Acid SCHEMBL30557635 0.76 DPP4 (0.54) DPP4DPP8NAMPTPARP1SCN9A
Trifluoroacetic Acid SCHEMBL4154691 0.69 HDAC6 (0.55) DPP4DPP8EPHX2NAMPTPARP1
SCHEMBL30980046 0.68 NAMPT (0.49) DPP4DPP8NAMPTPDPK1PARP1
SCHEMBL22330363 0.66 P2RX7 (0.44) DPP4DPP8
Trifluoroacetic Acid SCHEMBL28510185 0.65 HSD17B10 (0.42)
SCHEMBL22977583 0.64 DPP4 (0.49) DPP4DPP8NAMPTPDPK1PARP1
SCHEMBL12208897 0.64 NAMPT (0.45) DPP4DPP8NAMPTPDPK1PARP1
Trifluoroacetic Acid SCHEMBL28509604 0.64 SMN1; SMN2 (0.46) SCN9A
Trifluoroacetic Acid SCHEMBL7344714 0.64 GAA (0.47)

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
CN-112279848-A Pan-JAKs inhibitor and application thereof 四川海思科制药有限公司 2021-01-29 CN disclosed