Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1666854

CC1(C)CN=C(c2cnc3c(F)cccc3c2)c2cccc(F)c2O1.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
GRIN2B Q13224 13/20 0.33
PARP1 P09874 2/20 0.32

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
SCHEMBL1951241 0.91 ABCB1 (0.38) ABCB1ABCG2
Hydrochloric Acid SCHEMBL1666759 0.90 ABCB1 (0.37) ABCB1ABCG2
SCHEMBL1666344 0.86 ABCB1 (0.36) ABCB1ABCG2GRIN2B
SCHEMBL1948784 0.84 ABCB1 (0.36) ABCB1ABCG2GRIN2B
SCHEMBL1666206 0.80 BRD4 (0.41)
SCHEMBL1666323 0.80 ABCB1 (0.37) ABCB1ABCG2GRIN2B
Trifluoroacetic Acid SCHEMBL1668984 0.80 AKR1C3 (0.38) GRIN2B
SCHEMBL1951238 0.80 ABCB1 (0.38) ABCB1ABCG2GRIN2B
SCHEMBL1951201 0.76 ABCB1 (0.38) ABCB1ABCG2
SCHEMBL1949031 0.75 CNR2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314583-B1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT NIPPON SODA CO (JP) 2015-02-25 EP disclosed
US-8557738-B2 Nitrogen-containing heterocyclic derivative and fungicide for agricultural and horticultural use NIPPON SODA CO., LTD. (JP) 2013-10-15 US disclosed
US-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO., LTD (JP) 2011-06-09 US disclosed
EP-2314583-A1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT Nippon Soda Co., Ltd. (JP) 2011-04-27 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-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CBR3, NOS1, CBR1 PAX8 2925/4885L3MBTL1 1666/4885ABCB1 1449/4885

“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.