Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5245282

CCOCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(N3CCN[C@@H](C)C3)nc12.O=C(O)C(F)(F)F

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.81
KCNH2 Q12809 3/20 0.81

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 SCHEMBL5245582 1.00 PDE5A (0.81) PDE5AKCNH2
Trifluoroacetic Acid SCHEMBL5349435 0.93 PDE5A (0.77) PDE5AKCNH2
SCHEMBL5245313 0.92 PDE5A (0.89) PDE5AKCNH2
SCHEMBL8262550 0.91 PDE5A (0.87) PDE5AKCNH2
Trifluoroacetic Acid SCHEMBL4462306 0.90 PDE5A (0.77) PDE5AKCNH2
Trifluoroacetic Acid SCHEMBL4465518 0.90 PDE5A (0.77) PDE5AKCNH2
SCHEMBL8261458 0.90 PDE5A (0.85) PDE5AKCNH2
SCHEMBL4037933 0.90 PDE5A (1.00) PDE5AKCNH2
SCHEMBL4133246 0.90 PDE5A (1.00) PDE5AKCNH2
SCHEMBL5244249 0.90 PDE5A (1.00) 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