SCHEMBL7185791

SCHEMBL7185791

O=[N+]([O-])C1=CC([N+](=O)[O-])([N+](=O)[O-])C=CC1O.[NaH]

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
SCHEMBL5597627 0.77 NOS1 (0.32)
SCHEMBL4420369 0.61
SCHEMBL19386191 0.60
SCHEMBL20497165 0.59
SCHEMBL28950685 0.52
SCHEMBL3177880 0.50
SCHEMBL5860030 0.49 S100A4 (0.46)
SCHEMBL7250432 0.47 MEN1 (0.33)
SCHEMBL1502113 0.46 S100A4 (0.48)
SCHEMBL20985115 0.46 S100A4 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087659-B1 DISINFECTING PREPARATION CONTAINING CHLORINE IN ALCOHOL EUROSPITAL S P A (IT) 2003-04-09 EP disclosed
US-6462088-B1 LIQUID GERMICIDAL FORMULATION CONTAINING A COMBINATION OF AN ALCOHOL AND AN ORGANIC N-CHLOROAMINE WITH BORIC ACID BUFFER; STORAGE STABILITY EUROSPITAL S.P.A. (IT) 2002-10-08 US disclosed
US-20020045666-A1 Disinfecting preparation containing chlorine in alcohol EUROSPITAL, S.P.A. (IT) 2002-04-18 US disclosed
EP-1087659-A1 DISINFECTING PREPARATION CONTAINING CHLORINE IN ALCOHOL EUROSPITAL S P A (IT) 2001-04-04 EP disclosed
WO-1999065305-A1 DISINFECTING PREPARATION CONTAINING CHLORINE IN ALCOHOL EUROSPITAL S.P.A. (IT) 1999-12-23 WO disclosed