SCHEMBL12523948

SCHEMBL12523948

C=CNC(=O)N=C(N)N

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
SCHEMBL4744163 0.77
SCHEMBL22967340 0.72
SCHEMBL27643559 0.71 ALDH1A1 (0.38)
SCHEMBL464885 0.69
SCHEMBL24908259 0.69 TSHR (0.35)
Formaldehyde SCHEMBL29225333 0.67
Ethylene SCHEMBL27770741 0.67
SCHEMBL27797811 0.67
SCHEMBL10974000 0.65
SCHEMBL11354902 0.65

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
WO-2012125900-A1 2'-ALLENE-SUBSTITUTED NUCLEOSIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2012-09-20 WO disclosed
EP-2266965-A1 Methods for Isolating Crystalline Form I of 5-Azacytidine Celgene International Sarl (CH) 2010-12-29 EP disclosed
EP-2181988-A1 Pharmaceutical Compositions based on Crystalline Form I of 5-Azacytidine Pharmion Corporation (US) 2010-05-05 EP disclosed
WO-2010014883-A2 AZACITIDINE PROCESS AND POLYMORPHS DR. REDDY'S LABORATORIES LTD. (IN) 2010-02-04 WO disclosed
WO-2009042767-A1 AZACYTIDINE ANALOGUES AND USES THEREOF MOUNT SINAI SCHOOL OF MEDICINE (US) 2009-04-02 WO disclosed
WO-2009016617-A2 STABLE HIGHLY PURE AZACITIDINE AND PREPARATION METHODS THEREFOR CHEMAGIS LTD. (IL) 2009-02-05 WO disclosed