Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL848627

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C1NC(C2CCCCC2)=NC12CCNCC2

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 3/20 0.38
HTT P42858 1/20 0.36
HRH4 Q9H3N8 4/20 0.34
HRH3 Q9Y5N1 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
CALCRL Q16602 1/20 0.32
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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 SCHEMBL850565 0.89 HRH4 (0.33) PTH1RHRH4HRH3
SCHEMBL879742 0.88 PTH1R (0.39) PTH1RHTTKDM4EALDH1A1HPGD
SCHEMBL880047 0.88 PTH1R (0.39) PTH1RHTTKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL850588 0.86 PTH1R (0.39) PTH1RHTTCALCRL
SCHEMBL879709 0.86 PTH1R (0.38) PTH1RHTTHRH4CALCRL
Trifluoroacetic Acid SCHEMBL849034 0.86 HRH4 (0.33) PTH1RHRH4HRH3
Trifluoroacetic Acid SCHEMBL848936 0.84 PTH1R (0.33) PTH1RHRH4HRH3
SCHEMBL13551818 0.84 PTH1R (0.37) PTH1RHTTCALCRL
Trifluoroacetic Acid SCHEMBL849956 0.82 CHRNB2 (0.37) PTH1RHRH4HRH3
Trifluoroacetic Acid SCHEMBL848374 0.79 HRH4 (0.31) HRH4HRH3

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 PTH1R 1869/4885HTT 1584/4885HRH4 633/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PTH1R 1869/4885HTT 1584/4885HRH4 633/4885

“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.