Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL851165

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C1NC(C#Cc2ccccc2)=NC12CCNCC2

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
FFAR1 O14842 3/20 0.31
FFAR4 Q5NUL3 2/20 0.31
TACR1 P25103 1/20 0.31
GRM5 P41594 3/20 0.31
HRH3 Q9Y5N1 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CHEK1 O14757 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
SCHEMBL849304 0.90 GRM5 (0.36) GRM5HSD17B10
Trifluoroacetic Acid SCHEMBL3881272 0.79 ATM (0.41) CYP1A2CYP2D6
Trifluoroacetic Acid SCHEMBL28674034 0.73 GRM5 (0.40) CYP1A2CYP2D6TACR1GRM5
Trifluoroacetic Acid SCHEMBL849173 0.69 HRH4 (0.30) HRH4
Trifluoroacetic Acid SCHEMBL848627 0.67 PTH1R (0.38) HRH4HRH3
Trifluoroacetic Acid SCHEMBL848630 0.66 APP (0.41) TACR1
SCHEMBL2426716 0.66 SIGMAR1 (0.42) CYP1A2CYP2D6HSD17B10
Trifluoroacetic Acid SCHEMBL850565 0.66 HRH4 (0.33) HRH4HRH3
Trifluoroacetic Acid SCHEMBL849573 0.66 SMN1; SMN2 (0.33)
Trifluoroacetic Acid SCHEMBL849858 0.65 SLC13A5 (0.40) 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 HRH4 633/4885CYP1A2 944/4885CYP2D6 476/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 HRH4 633/4885CYP1A2 944/4885CYP2D6 476/4885

“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.