SCHEMBL5593709

SCHEMBL5593709

CC(C)(C(=O)O)[N+](=O)[O-]

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
Hydrochloric Acid SCHEMBL11628111 0.97 ALDH1A1 (0.41)
SCHEMBL27853892 0.77 ALDH1A1 (0.43)
SCHEMBL20500830 0.77
SCHEMBL7872758 0.77 ALDH1A1 (0.43)
SCHEMBL16099341 0.74
SCHEMBL11626750 0.74
SCHEMBL4296756 0.74
Hydrochloric Acid SCHEMBL10383166 0.72 ALDH1A1 (0.39)
SCHEMBL510250 0.72
SCHEMBL3950466 0.70 CYP2C19 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007066088-A2 PROCESS FOR PREPARING A COUPLING PRODUCT BY USING ALPHA-LITHIO-QUINUCLIDINE N-OXIDE THE UNIVERSITY OF LIVERPOOL (GB) 2007-06-14 WO disclosed
EP-0412606-B1 UV-stabilization of polymers using nitro compounds AKZO NOBEL NV (NL) 1997-01-15 EP disclosed
US-5122555-A Mixing with polyolefin and conventional stabilizer AKZO NV (NL) 1992-06-16 US disclosed
EP-0438311-A2 Di- and tripeptide renin inhibitors MERCK & CO. INC. (US) 1991-07-24 EP disclosed
EP-0412606-A1 UV-stabilization of polymers using nitro compounds Akzo Nobel N.V. (NL) 1991-02-13 EP disclosed
EP-0000648-B1 STABILISED IMIDE GRAFT OF ETHYLENE COPOLYMERIC ADDITIVES FOR LUBRICANTS, PROCESS FOR THEIR PREPARATION, PROCESS FOR STABILISING ADDITIVE CONCENTRATES FOR LUBRICANTS BASED ON THE IMIDE GRAFT ETHYLENE COPOLYMER AND LUBRICATING OIL COMPOSITIONS COMPRISING THE STABILISED ADDITIVE EXXON RESEARCH AND ENGINEERING COMPANY (US) 1982-04-21 EP disclosed
US-4219432-A Stabilized amide-imide graft of ethylene copolymeric additives for lubricants EXXON RESEARCH & ENGINEERING CO. (US) 1980-08-26 US disclosed
EP-0000648-A1 Stabilised imide graft of ethylene copolymeric additives for lubricants, process for their preparation, process for stabilising additive concentrates for lubricants based on the imide graft ethylene copolymer and lubricating oil compositions comprising the stabilised additive EXXON RESEARCH AND ENGINEERING COMPANY (US) 1979-02-07 EP disclosed
US-4137185-A VISCOSITY INDEX IMPROVERS EXXON RESEARCH & ENGINEERING CO. (US) 1979-01-30 US disclosed
US-3976635-A Novel esterifying agents, and their production and use FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-08-24 US disclosed