Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL28864384

CC(OC(N)=O)C(=O)NCc1cc(Cl)ccc1-n1cnnn1.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.55
F2 P00734 13/20 0.50
CYP3A4 P08684 5/20 0.46
PRSS1 P07477 2/20 0.45
KCNH2 Q12809 3/20 0.44
F11 P03951 2/20 0.44
F10 P00742 2/20 0.44
F9 P00740 1/20 0.44
PLAT P00750 1/20 0.44
KLKB1 P03952 1/20 0.44
F7 P08709 1/20 0.44
TBXA2R P21731 1/20 0.44
PRSS3 P35030 1/20 0.44

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
SCHEMBL28593491 0.94 MASP2 (0.59) MASP2F2CYP3A4PRSS1KCNH2
SCHEMBL28593489 0.94 MASP2 (0.59) MASP2F2CYP3A4PRSS1KCNH2
Trifluoroacetic Acid SCHEMBL23452472 0.88 MASP2 (0.61) MASP2F2CYP3A4PRSS1F11
Trifluoroacetic Acid SCHEMBL29880513 0.88 MASP2 (0.61) MASP2F2CYP3A4PRSS1F11
Trifluoroacetic Acid SCHEMBL28587649 0.88 MASP2 (0.61) MASP2F2CYP3A4PRSS1F11
Trifluoroacetic Acid SCHEMBL28587648 0.88 MASP2 (0.61) MASP2F2CYP3A4PRSS1F11
Trifluoroacetic Acid SCHEMBL23454672 0.85 MASP2 (0.60) MASP2F2CYP3A4PRSS1F11
Trifluoroacetic Acid SCHEMBL23454676 0.85 MASP2 (0.60) MASP2F2CYP3A4PRSS1F11
Trifluoroacetic Acid SCHEMBL30131490 0.82 MASP2 (0.55) MASP2F2CYP3A4PRSS1KCNH2
Trifluoroacetic Acid SCHEMBL28579470 0.82 MASP2 (0.49) MASP2F2CYP3A4PRSS1F11

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-115052862-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2022-09-13 CN disclosed