Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29652104

O=C(N[C@@H](CS)C(=O)O)c1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.56
CA1 P00915 4/20 0.56
CTRB1 P17538 3/20 0.54
PADI1 Q9ULC6 3/20 0.50
PADI4 Q9UM07 3/20 0.50
PADI2 Q9Y2J8 2/20 0.50
PADI3 Q9ULW8 2/20 0.49
ACE P12821 4/20 0.49
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
PTPN1 P18031 2/20 0.48
ECE1 P42892 1/20 0.45
CTSL P07711 2/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 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
SCHEMBL989155 0.91 CA2 (0.65) CA2CA1CTRB1ACECA12
SCHEMBL3447634 0.91 CA2 (0.65) CA2CA1CTRB1ACECA12
SCHEMBL989156 0.91 CA2 (0.65) CA2CA1CTRB1ACECA12
Ethylenediamine SCHEMBL2476802 0.84 CA2 (0.62) CA2CA1CTRB1ACECA12
SCHEMBL18979294 0.83 CA2 (0.64) CA2CA1CTRB1CA12CA9
SCHEMBL12574366 0.81 CA1 (0.57) CA2CA1CTRB1ACECA12
SCHEMBL12636075 0.81 CA1 (0.57) CA2CA1CTRB1ACECA12
SCHEMBL16447059 0.80 CA2 (0.64) CA2CA1CA12CA9CTSL
SCHEMBL16447060 0.80 CA2 (0.64) CA2CA1CA12CA9CTSL
SCHEMBL24945573 0.78 CTRB1 (0.55) CA2CA1CTRB1PADI1PADI4

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-114521199-A Novel cross-linked alginic acid structure 持田制药株式会社 2022-05-20 CN disclosed