Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9362174

CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnc(-c4ccc(O)cc4)o3)CS[C@H]12)c1csc(N)n1.O=C(O)C(F)(F)F

nearest known ligand 0.64

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.64
▸ PGR P06401 2/20 0.64
▸ HTR2C P28335 1/20 0.64
▸ MAPT P10636 5/20 0.62
▸ PPARG P37231 2/20 0.62
▸ SLC22A6 Q4U2R8 2/20 0.62
▸ SLC22A8 Q8TCC7 2/20 0.62
▸ SLC22A11 Q9NSA0 2/20 0.62
▸ ALB P02768 1/20 0.62
▸ KMT2A Q03164 1/20 0.61
▸ DAO P14920 1/20 0.61
▸ SNCA P37840 1/20 0.61
▸ CYP2J2 P51589 1/20 0.61
▸ ABCC4 O15439 2/20 0.61
▸ TDP1 Q9NUW8 6/20 0.54
▸ APEX1 P27695 3/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ POLB P06746 2/20 0.54
▸ RECQL P46063 2/20 0.54

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 SCHEMBL9361058 0.95 NR1I2 (0.66) NR1I2PGRHTR2CMAPTPPARG
Trifluoroacetic Acid SCHEMBL9361064 0.95 NR1I2 (0.66) NR1I2PGRHTR2CMAPTPPARG
SCHEMBL9682786 0.91 NR1I2 (0.69) NR1I2PGRHTR2CMAPTPPARG
SCHEMBL11138088 0.91 NR1I2 (0.69) NR1I2PGRHTR2CMAPTPPARG
SCHEMBL8629219 0.91 NR1I2 (0.69) NR1I2PGRHTR2CMAPTPPARG
SCHEMBL9360505 0.90 NR1I2 (0.66) NR1I2PGRHTR2CMAPTPPARG
SCHEMBL9360494 0.90 NR1I2 (0.66) NR1I2PGRHTR2CMAPTPPARG
SCHEMBL9684655 0.90 NR1I2 (0.66) NR1I2PGRHTR2CMAPTPPARG
Hydrochloric Acid SCHEMBL9364742 0.90 NR1I2 (0.66) NR1I2PGRHTR2CMAPTPPARG
Hydrochloric Acid SCHEMBL9364732 0.90 NR1I2 (0.66) NR1I2PGRHTR2CMAPTPPARG

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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