SCHEMBL5485586

SCHEMBL5485586

CC(C[N+](C)(C)CC(N)CNC(C)(C)C(C)=NO)=NO

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL1446594 0.79 POLB (0.34)
SCHEMBL1446598 0.79 POLB (0.34)
SCHEMBL15895095 0.67 POLB (0.35)
SCHEMBL6131615 0.65 POLB (0.32)
SCHEMBL10156702 0.64 POLB (0.33)
Hydrochloric Acid SCHEMBL6131561 0.64 POLB (0.31)
SCHEMBL15494039 0.63 POLB (0.33)
SCHEMBL10005608 0.62 POLB (0.39)
SCHEMBL7128026 0.60 POLB (0.35)
SCHEMBL5313285 0.60 POLB (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587944-A4 KDR AND VEGF/KDR BINDING PEPTIDES AND THEIR USE IN DIAGNOSIS AND THERAPY DYAX CORP (US) 2007-03-21 EP disclosed
WO-2006031885-A2 KDR AND VEGF/KDR BINDING PEPTIDES DYAX CORP. (US) 2006-03-23 WO disclosed
EP-1587944-A1 KDR AND VEGF/KDR BINDING PEPTIDES AND THEIR USE IN DIAGNOSIS AND THERAPY Dyax Corp. (US) 2005-10-26 EP disclosed
WO-2004065621-A1 KDR AND VEGF/KDR BINDING PEPTIDES AND THEIR USE IN DIAGNOSIS AND THERAPY DYAX CORP. (US) 2004-08-05 WO disclosed