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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5246100

CCOCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(N3CCC(CO)CC3)nc12.O=C(O)C(F)(F)F

nearest known ligand 0.66

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 0.66
▸ KCNH2 Q12809 4/20 0.66

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
SCHEMBL8260900 0.96 PDE5A (0.71) PDE5AKCNH2
SCHEMBL5246097 0.90 PDE5A (0.64) PDE5AKCNH2
SCHEMBL5247408 0.90 PDE5A (0.81) PDE5AKCNH2
SCHEMBL5245681 0.89 PDE5A (0.71) PDE5AKCNH2
Trifluoroacetic Acid SCHEMBL5245282 0.87 PDE5A (0.81) PDE5AKCNH2
Trifluoroacetic Acid SCHEMBL5245582 0.87 PDE5A (0.81) PDE5AKCNH2
SCHEMBL5244338 0.86 PDE5A (0.77) PDE5AKCNH2
SCHEMBL5244211 0.86 PDE5A (0.77) PDE5AKCNH2
SCHEMBL5245545 0.86 PDE5A (0.76) PDE5AKCNH2
SCHEMBL8262047 0.85 PDE5A (0.68) PDE5AKCNH2

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-1809632-A2 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-07-25 — — EP claimed
WO-2006046135-A2 PYRAZOLO[4,3-D] PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-05-04 — — WO claimed