Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4090810

CN(C(=O)c1cc2cc(Cl)ccc2[nH]1)[C@@H]1CCCC[C@@H]1N.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PYGL P06737 16/20 0.48
HRH4 Q9H3N8 2/20 0.47
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
SMYD3 Q9H7B4 1/20 0.44
HRH3 Q9Y5N1 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
Trifluoroacetic Acid SCHEMBL4090808 1.00 PYGL (0.48) PYGLHRH4F7F3SMYD3
SCHEMBL4088794 0.93 PYGL (0.54) PYGLHRH4F7F3SMYD3
SCHEMBL11888204 0.93 PYGL (0.54) PYGLHRH4F7F3SMYD3
SCHEMBL4088790 0.93 PYGL (0.54) PYGLHRH4F7F3SMYD3
SCHEMBL12101074 0.91 PYGL (0.55) PYGLHRH4F7F3SMYD3
SCHEMBL11888186 0.76 HRH4 (0.46) PYGLHRH4F7F3SMYD3
Trifluoroacetic Acid SCHEMBL742753 0.74 SMYD3 (0.45) PYGLHRH4F7F3SMYD3
SCHEMBL11888291 0.72 HRH4 (0.47) PYGLHRH4F7F3SMYD3
Trifluoroacetic Acid SCHEMBL4093913 0.72 F10 (0.57) PYGLSMYD3
Trifluoroacetic Acid SCHEMBL1853964 0.70 F10 (0.41) PYGLHRH4F7F3SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 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 (3 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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 PYGL 3056/4885HRH4 186/4885F7 1075/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 PYGL 3056/4885HRH4 186/4885F7 1075/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 PYGL 2722/4885HRH4 580/4885F7 491/4885

“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.