SCHEMBL7063130

SCHEMBL7063130

C=CCC1(N)N=C(N)C2=NC=NC2=N1

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
SCHEMBL4551663 0.72
SCHEMBL2634659 0.69
SCHEMBL1251785 0.66
SCHEMBL27553160 0.64
SCHEMBL324755 0.61
Hydrochloric Acid SCHEMBL8470162 0.60
Hydrochloric Acid SCHEMBL941846 0.60
SCHEMBL3305612 0.58
SCHEMBL17494529 0.58
SCHEMBL545834 0.54 MPO (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097939-B1 Method for the synthesis of isoguanosine and of its 2'-derivatives BAYER AG (US) 2004-02-11 EP disclosed
EP-0778898-B1 REDUCTION OF NONSPECIFIC HYBRIDIZATION BY USING NOVEL BASE-PAIRING SCHEMES BAYER AG (US) 2002-11-13 EP disclosed
US-20010026918-A1 Reduction of nonspecific hybridization by using novel base-pairing schemes COLLINS MARK L (US) 2001-10-04 US disclosed
US-6232462-B1 SYNTHESIS OF AN ISOGUANOSINE DERIVATIVE USED AS ANTISENSE AND APTAMER THERAPEUTICS AND DRUG DISCOVERY BAYER CORPORATION 2001-05-15 US disclosed
EP-1097939-A2 Method for the synthesis of isoguanosine and its 2'-derivatives Bayer Corporation (US) 2001-05-09 EP disclosed
WO-1996006950-A9 REDUCTION OF NONSPECIFIC HYBRIDIZATION BY USING NOVEL BASE-PAIRING SCHEMES 1997-05-09 WO disclosed