SCHEMBL9563447

SCHEMBL9563447

CNC1(NC)N=CN=C2N=CN=C21

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
SCHEMBL33790 0.69
SCHEMBL6897683 0.68
SCHEMBL8429764 0.67
SCHEMBL17744967 0.65
SCHEMBL7118357 0.65
SCHEMBL3321079 0.65
SCHEMBL73936 0.60
SCHEMBL6381754 0.59
SCHEMBL324755 0.58
SCHEMBL8970996 0.58

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-0531597-A1 Novel unsaturated acyclic phosphonate derivatives of purine and pyrimidine MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-17 EP disclosed
EP-0479640-A2 Novel phosphonate derivatives of certain nucleosides MERRELL DOW PHARMACEUTICALS INC. (US) 1992-04-08 EP disclosed
EP-0477454-A1 Novel phosphonate derivatives of certain nucleosides MERRELL DOW PHARMACEUTICALS INC. (US) 1992-04-01 EP disclosed
EP-0335770-A2 Novel fluorophosphonate nucleotide derivatives MERRELL PHARMACEUTICALS INC. (US) 1989-10-04 EP disclosed