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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8554402

O=C(O)C(F)(F)F.O=C(c1ccccc1)c1ccc2[nH]c(COc3ccc(Cl)cc3)nc2c1CCCC1CCCCN1

nearest known ligand 0.43

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 3/20 0.43
▸ GNRHR P30968 11/20 0.39
▸ DGAT2 Q96PD7 1/20 0.36
▸ LTA4H P09960 2/20 0.35

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 SCHEMBL8555320 0.85 NPY1R (0.42) NPY1RGNRHRDGAT2LTA4H
SCHEMBL8553471 0.82 NPY1R (0.46) NPY1R
Trifluoroacetic Acid SCHEMBL8554222 0.76 GNRHR (0.39) GNRHR
Trifluoroacetic Acid SCHEMBL8553079 0.75 NPC1 (0.38) GNRHR
Trifluoroacetic Acid SCHEMBL8552866 0.74 NPY1R (0.48) NPY1R
Trifluoroacetic Acid SCHEMBL8554400 0.73 NPY1R (0.44) NPY1R
Trifluoroacetic Acid SCHEMBL7693326 0.72 NPY1R (0.67) NPY1R
SCHEMBL8556872 0.72 NPY1R (0.44) NPY1RDGAT2
Trifluoroacetic Acid SCHEMBL8555259 0.72 RHEB (0.38) NPY1RDGAT2
Trifluoroacetic Acid SCHEMBL8552705 0.72 NPY1R (0.38) NPY1RDGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871442-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-10-21 — — EP disclosed
WO-1997025041-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-07-17 — — WO disclosed