SCHEMBL6689289

SCHEMBL6689289

O=[N+]([O-])C1=CCC(O)([N+](=O)[O-])C=C1

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
SCHEMBL11190741 0.78 ALDH1A1 (0.31)
SCHEMBL7918141 0.78
SCHEMBL4754696 0.78
SCHEMBL29025596 0.75
SCHEMBL4953742 0.74
SCHEMBL8438478 0.74
SCHEMBL8813249 0.74
SCHEMBL9173561 0.73
SCHEMBL28363279 0.71
SCHEMBL5983434 0.71 CRHBP (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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6824986-B1 Methods for measuring in vivo cytokine production UNIVERSITY OF CINCINNATI 2004-11-30 US disclosed
EP-0472640-B1 HIGH MOLECULAR WEIGHT BINDERS FOR MAGNETIC RECORDING MEDIA MINNESOTA MINING & MFG (US) 1995-07-26 EP disclosed
US-5324357-A For magnetic recording media KONICA CORPORATION (JP) 1994-06-28 US disclosed
EP-0539724-A1 Extrusion coating apparatus KONICA CORPORATION (JP) 1993-05-05 EP disclosed
US-5128215-A Styrene-butadiene MINNESOTA MINING & MANUFACTURING COMPANY (US) 1992-07-07 US disclosed
US-4619868-A FERROMAGNETIC POWDER DISPERSED IN ELECTRON BEAM CURABLE BINDER OF ACRYLOYL OR METHACRYLOYL GROUPS, URETHANE GROUPS, NITROCELLULOSE FUJI PHOTO FILM CO., LTD. (JP) 1986-10-28 US disclosed
US-4587170-A POLYURETHANE, POLYSOCYANATE BINDER FUJI PHOTO FILM CO., LTD. (JP) 1986-05-06 US disclosed
US-4560616-A VINYL-TYPE COPOLYMER, URETHANE RESIN AND AN ACRYLOYL COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1985-12-24 US disclosed
US-4337288-A WITH CONTROLLED SURFACE ROUGHNESS FUJI PHOTO FILM CO., LTD. (JP) 1982-06-29 US disclosed