Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9361906

CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnc(-c4ccccc4)s3)CS[C@@H]12)c1csc(N)n1.O=C(O)C(F)(F)F

nearest known ligand 0.68

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.67
▸ PGR P06401 3/20 0.67
▸ KMT2A Q03164 1/20 0.66
▸ HTR2C P28335 1/20 0.65
▸ PPARG P37231 2/20 0.64
▸ SLC22A6 Q4U2R8 2/20 0.64
▸ SLC22A8 Q8TCC7 2/20 0.64
▸ SLC22A11 Q9NSA0 2/20 0.64
▸ DAO P14920 1/20 0.64
▸ SNCA P37840 1/20 0.64
▸ CYP2J2 P51589 1/20 0.64
▸ ABCC4 O15439 2/20 0.63
▸ MAPT P10636 5/20 0.63
▸ ALB P02768 1/20 0.63
▸ TDP1 Q9NUW8 6/20 0.56
▸ APEX1 P27695 3/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ POLB P06746 2/20 0.56
▸ RECQL P46063 2/20 0.56

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 SCHEMBL9361892 1.00 NR1I2 (0.67) NR1I2PGRKMT2AHTR2CPPARG
SCHEMBL8681425 0.92 NR1I2 (0.71) NR1I2PGRKMT2AHTR2CPPARG
SCHEMBL9683506 0.92 NR1I2 (0.71) NR1I2PGRKMT2AHTR2CPPARG
SCHEMBL9683528 0.90 NR1I2 (0.69) NR1I2PGRKMT2AHTR2CPPARG
SCHEMBL8629082 0.90 NR1I2 (0.69) NR1I2PGRKMT2AHTR2CPPARG
SCHEMBL9684919 0.89 NR1I2 (0.67) NR1I2PGRKMT2AHTR2CPPARG
SCHEMBL8630446 0.89 NR1I2 (0.67) NR1I2PGRKMT2AHTR2CPPARG
SCHEMBL9361091 0.89 NR1I2 (0.68) NR1I2PGRKMT2AHTR2CPPARG
SCHEMBL9361083 0.89 NR1I2 (0.68) NR1I2PGRKMT2AHTR2CPPARG
Trifluoroacetic Acid SCHEMBL9361058 0.88 NR1I2 (0.66) NR1I2PGRKMT2AHTR2CPPARG

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
EP-0241901-B1 Cephalosporin derivatives, processes for their preparation and antibacterial agents BANYU PHARMA CO LTD (JP) 1994-08-24 — — EP disclosed
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