Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6470237

Nc1ccc(Br)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
GABRP O00591 2/20 0.47
GABRD O14764 2/20 0.47
GABRA1 P14867 2/20 0.47
GABRB1 P18505 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
GABRA4 P48169 2/20 0.47
GABRE P78334 2/20 0.47
GABRA6 Q16445 2/20 0.47
GABRG1 Q8N1C3 2/20 0.47
GABRG3 Q99928 2/20 0.47
GABRQ Q9UN88 2/20 0.47
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
Acetic Acid SCHEMBL28106685 0.83 KDM4E (0.52) ALDH1A1KDM4EGABRPGABRDGABRA1
Bicarbonate SCHEMBL28251568 0.81 KDM4E (0.50) ALDH1A1KDM4EGABRPGABRDGABRA1
SCHEMBL105422 0.80
SCHEMBL29549225 0.80
Trifluoroacetic Acid SCHEMBL6470233 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EATML3MBTL1TSHR
Trifluoroacetic Acid SCHEMBL30699793 0.79 KMT2A (0.54) ALDH1A1KDM4EGABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL6901300 0.78
Bromide SCHEMBL27819502 0.78
Trifluoroacetic Acid SCHEMBL31114356 0.77 GABRP (0.46) ALDH1A1KDM4EGABRPGABRDGABRA1
Formic Acid SCHEMBL27975615 0.77 HDAC1 (0.44) ALDH1A1KDM4EGABRPGABRDGABRA1

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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA ALDH1A1 2820/4885KDM4E 3151/4885GABRP 3200/4885

“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.