SCHEMBL9534685

SCHEMBL9534685

C=CC(O)c1c[nH]c([N+](=O)[O-])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
SCHEMBL27905823 0.73 KDM4E (0.32)
SCHEMBL3958827 0.73
SCHEMBL10681446 0.72
SCHEMBL11805074 0.72
SCHEMBL9141910 0.70
SCHEMBL8006773 0.67
SCHEMBL3908846 0.66
SCHEMBL5722117 0.66 GSR (0.31)
SCHEMBL7551288 0.66
SCHEMBL3953992 0.66 ALDH1A1 (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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1023318-C Process for preparing 1-hydroxyalkyl-5-nitro imidazoles RHONE POULENC SANTE (FR) 1993-12-29 CN claimed
CN-1023220-C Process for preparing 1-hydroxyalkyl-2-methyl-5-nitro imidazoles RHONE POULENC SANTE (FR) 1993-12-22 CN claimed
EP-0325513-B1 PROCESS FOR THE PREPARATION OF 1-HYDROXYALKYL-2-METHYL-5-NITRO-IMIDAZOLES RHONE-POULENC SANTE (FR) 1993-04-07 EP claimed
EP-0324691-B1 PROCESS FOR THE PREPARATION OF 1-HYDROXYALKYL-5-NITRO-IMIDAZOLES RHONE-POULENC SANTE (FR) 1991-12-27 EP claimed
CN-1055536-A The preparation method of 1-hydroxyalkyl-5-nitroimidazole RHONE POULENC RORER SA (FR) 1991-10-23 CN claimed
CN-1035288-A The preparation method of 1-hydroxyalkyl-5-nitroimidazole RHONE POULENC SANTE (FR) 1989-09-06 CN claimed
CN-1035289-A The preparation method of 1-hydroxyalkyl-2-methyl-5-nitro imidazoles RHONE POULENC SANTE (FR) 1989-09-06 CN claimed
CN-1023318-C Process for preparing 1-hydroxyalkyl-5-nitro imidazoles RHONE POULENC SANTE (FR) 1993-12-29 CN disclosed
CN-1023220-C Process for preparing 1-hydroxyalkyl-2-methyl-5-nitro imidazoles RHONE POULENC SANTE (FR) 1993-12-22 CN disclosed
CN-1016782-B PROCESS FOR PREPARING 1-ETHYLOL-2-METHYL-5-NITROIMIDAZOLE RHONE POULENC SANTE (FR) 1992-05-27 CN disclosed
EP-0439556-A4 HETEROCYCLIC PEPTIDE RENIN INHIBITORS 1991-10-30 EP disclosed
CN-1055536-A The preparation method of 1-hydroxyalkyl-5-nitroimidazole RHONE POULENC RORER SA (FR) 1991-10-23 CN disclosed
CN-1035289-A The preparation method of 1-hydroxyalkyl-2-methyl-5-nitro imidazoles RHONE POULENC SANTE (FR) 1989-09-06 CN disclosed
CN-1035288-A The preparation method of 1-hydroxyalkyl-5-nitroimidazole RHONE POULENC SANTE (FR) 1989-09-06 CN disclosed
CN-1035288-A The preparation method of 1-hydroxyalkyl-5-nitroimidazole RHONE POULENC SANTE (FR) 1989-09-06 CN disclosed
CN-1035289-A The preparation method of 1-hydroxyalkyl-2-methyl-5-nitro imidazoles RHONE POULENC SANTE (FR) 1989-09-06 CN disclosed
CN-1035111-A Hydroxyalkyl agent preparation method, gained new preparation and application thereof like this RHONE POULENC SANTE (FR) 1989-08-30 CN disclosed