Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17965645

O=C(O)C(F)(F)F.OCc1cc2c(s1)CCNC2

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.49
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
ITGB3 P05106 5/20 0.40
ITGA2B P08514 5/20 0.40
POLB P06746 1/20 0.38
PARP1 P09874 3/20 0.36
PARP2 Q9UGN5 3/20 0.36
KCNH2 Q12809 1/20 0.36
GRIN2B Q13224 2/20 0.33

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 SCHEMBL17965628 0.81 PNMT (0.71) PNMTTPSAB1TPSD1TPSG1ITGB3
Trifluoroacetic Acid SCHEMBL8457040 0.81 PNMT (0.62) PNMTTPSAB1TPSD1TPSG1ITGB3
SCHEMBL17965647 0.79 PNMT (0.50) PNMTTPSAB1TPSD1TPSG1ITGB3
SCHEMBL15903731 0.79 POLB (0.60) PNMTTPSAB1TPSD1TPSG1ITGB3
Trifluoroacetic Acid SCHEMBL31078582 0.78 PNMT (0.81) PNMTTPSAB1TPSD1TPSG1ITGB3
Hydrochloric Acid SCHEMBL7987429 0.77 POLB (0.59) PNMTTPSAB1TPSD1TPSG1ITGB3
Trifluoroacetic Acid SCHEMBL5648145 0.75 PNMT (0.46) PNMTTPSAB1TPSD1TPSG1ITGB3
Trifluoroacetic Acid SCHEMBL5648133 0.75 PNMT (0.46) PNMTTPSAB1TPSD1TPSG1ITGB3
Trifluoroacetic Acid SCHEMBL29721315 0.75 PNMT (0.55) PNMTTPSAB1TPSD1TPSG1ITGB3
SCHEMBL23474357 0.71 PNMT (0.56) PNMTTPSAB1TPSD1TPSG1ITGB3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
EP-3053917-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nissan Chemical Industries, Ltd. (JP) 2016-08-10 EP 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-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H PNMT 4208/4885TPSAB1 1091/4885TPSD1 383/4885

“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.