Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL850565

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C1NC(C2CCC(F)(F)CC2)=NC12CCNCC2

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.33
HRH3 Q9Y5N1 2/20 0.33
PTH1R Q03431 1/20 0.30

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
SCHEMBL13064852 0.89 PLAT (0.32) PTH1R
Trifluoroacetic Acid SCHEMBL848627 0.89 PTH1R (0.38) HRH4HRH3PTH1R
Trifluoroacetic Acid SCHEMBL848936 0.83 PTH1R (0.33) HRH4HRH3PTH1R
Trifluoroacetic Acid SCHEMBL849956 0.81 CHRNB2 (0.37) HRH4HRH3PTH1R
Trifluoroacetic Acid SCHEMBL849034 0.80 HRH4 (0.33) HRH4HRH3PTH1R
Trifluoroacetic Acid SCHEMBL848374 0.78 HRH4 (0.31) HRH4HRH3
SCHEMBL13064572 0.78 PTH1R (0.31) PTH1R
SCHEMBL879709 0.76 PTH1R (0.38) HRH4PTH1R
SCHEMBL16302133 0.76 PTH1R (0.32) PTH1R
SCHEMBL16357929 0.76 PTH1R (0.32) PTH1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 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 (2 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 HRH4 633/4885HRH3 1416/4885PTH1R 1869/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 HRH4 633/4885HRH3 1416/4885PTH1R 1869/4885

“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.