Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4096831

O=C(O)C(F)(F)F.O=C(O)C[C@@H]1CCCNC1

nearest known ligand 0.62

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 4/20 0.62
SLC6A11 P48066 3/20 0.62
SLC6A13 Q9NSD5 3/20 0.62
GABRA5 P31644 2/20 0.62
GABRB2 P47870 2/20 0.62
SLC6A12 P48065 2/20 0.62
GABRA1 P14867 1/20 0.62
GABRR1 P24046 1/20 0.62
GABRA4 P48169 1/20 0.62
CPN1 P15169 2/20 0.45
CPB2 Q96IY4 2/20 0.45
EPHX1 P07099 1/20 0.44
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRM3 P20309 1/20 0.39
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37

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 SCHEMBL4089392 1.00 SLC6A1 (0.62) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
Trifluoroacetic Acid SCHEMBL28718426 0.90 SLC6A1 (0.79) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL1225755 0.89 SLC6A1 (0.77) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL18828784 0.89 SLC6A1 (0.77) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL18828823 0.89 SLC6A1 (0.77) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
Hydrochloric Acid SCHEMBL22323200 0.88 SLC6A1 (0.74) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
Hydrochloric Acid SCHEMBL5050450 0.88 SLC6A1 (0.74) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL4115452 0.88 SLC6A1 (0.74) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
Hydrochloric Acid SCHEMBL15550547 0.88 SLC6A1 (0.74) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
Hydrochloric Acid SCHEMBL27564309 0.88 SLC6A1 (0.74) SLC6A1SLC6A11SLC6A13GABRA5GABRB2

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
US-20090181996-A1 SUBSTITUTED QUINOLONES III BAYER HEALTHCARE AG (DE) 2009-07-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090181996-A1 SUBSTITUTED QUINOLONES III IRF3, TPMT, TOP2A SLC6A1 3159/4885SLC6A11 3581/4885SLC6A13 3194/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.