Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4692946

O=C(O)C(F)(F)F.OC1CCOC12CCNCC2

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
PMP22 Q01453 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL4692919 0.85
SCHEMBL21276008 0.74
SCHEMBL4692950 0.73
Trifluoroacetic Acid SCHEMBL27849942 0.72 GABRA5 (0.44) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL24565874 0.71
Trifluoroacetic Acid SCHEMBL5035153 0.69 CYP1A2 (0.42) GABRDGABRA1TSHRGABRB1GABRA5
Trifluoroacetic Acid SCHEMBL1870907 0.69
Trifluoroacetic Acid SCHEMBL25364183 0.69 L3MBTL1 (0.30)
Trifluoroacetic Acid SCHEMBL29758018 0.69 NAMPT (0.31)
Trifluoroacetic Acid SCHEMBL30504479 0.68 CYP2D6 (0.36) GABRDGABRA1GABRB1GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603901-B1 TETRAHYDROPYRAN COMPOUNDS AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME (GB) 2008-10-15 EP disclosed
US-7393858-B2 Tetrahydropyran compounds as tachykinin antagonists MERCK SHARP & DOHME LTD. (GB) 2008-07-01 US disclosed
US-20060172999-A1 Tetrahydropyran compounds as tachykinin antagonists MERCK SHARP & DOHME LTD. (GB) 2006-08-03 US 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-20060172999-A1 Tetrahydropyran compounds as tachykinin antagonists NPSR1, NPY1R, OPRL1 GABRP 1680/4885GABRD 1972/4885GABRA1 1795/4885

“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.