Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL28185089

COC(=O)C[C@H](N)Cc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.47
CPA1 P15085 1/20 0.47
EPHX1 P07099 1/20 0.46
MMP2 P08253 3/20 0.46
SLC7A5 Q01650 2/20 0.45
ABCB1 P08183 1/20 0.44
MMP1 P03956 1/20 0.44
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
LAP3 P28838 1/20 0.43
DPP4 P27487 1/20 0.42
MAOB P27338 1/20 0.42

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
Trifluoroacetic Acid SCHEMBL6894530 1.00 CTRB1 (0.47) CTRB1CPA1EPHX1MMP2SLC7A5
SCHEMBL27846893 0.92 EPHX1 (0.53) EPHX1MMP2SLC7A5ABCB1MMP1
SCHEMBL2632623 0.92 EPHX1 (0.53) EPHX1MMP2SLC7A5ABCB1MMP1
SCHEMBL6343323 0.92 EPHX1 (0.53) EPHX1MMP2SLC7A5ABCB1MMP1
Hydrochloric Acid SCHEMBL6343321 0.91 EPHX1 (0.52) EPHX1MMP2SLC7A5ABCB1MMP1
Hydrochloric Acid SCHEMBL3707653 0.91 EPHX1 (0.52) EPHX1MMP2SLC7A5ABCB1MMP1
Trifluoroacetic Acid SCHEMBL1395876 0.83 EPHX1 (0.53) CPA1EPHX1MMP2SLC7A5ALPI
Trifluoroacetic Acid SCHEMBL6157790 0.83 EPHX1 (0.53) CPA1EPHX1MMP2SLC7A5ALPI
SCHEMBL24704668 0.82 DPP4 (0.52) DPP4MAOB
SCHEMBL22255869 0.82 DPP4 (0.52) DPP4MAOB

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-105367482-B N acyl sulfonamides apoptosis accelerator 阿斯利康(瑞典)有限公司 2017-12-12 CN disclosed