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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8555320

Cc1c(CCCC2CCCCN2)ccc2[nH]c(COc3ccc(Cl)cc3)nc12.O=C(O)C(F)(F)F

nearest known ligand 0.42

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 2/20 0.42
▸ HRH4 Q9H3N8 1/20 0.39
▸ GNRHR P30968 12/20 0.39
▸ DGAT2 Q96PD7 1/20 0.38
▸ LTA4H P09960 1/20 0.37

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 SCHEMBL8554402 0.85 NPY1R (0.43) NPY1RGNRHRDGAT2LTA4H
SCHEMBL8554215 0.80 NPY1R (0.49) NPY1RDGAT2
Trifluoroacetic Acid SCHEMBL8553079 0.79 NPC1 (0.38) GNRHR
Trifluoroacetic Acid SCHEMBL8552705 0.79 NPY1R (0.38) NPY1RDGAT2
Trifluoroacetic Acid SCHEMBL8552526 0.79 NPY1R (0.41) NPY1RDGAT2
SCHEMBL8551098 0.78 RAB9A (0.45) DGAT2
Trifluoroacetic Acid SCHEMBL8555259 0.78 RHEB (0.38) NPY1RDGAT2
Trifluoroacetic Acid SCHEMBL8555314 0.78 NPY1R (0.45) NPY1RHRH4
SCHEMBL8553502 0.77 NPY1R (0.48) NPY1RDGAT2
SCHEMBL8554433 0.77 NPY1R (0.47) NPY1R

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