SCHEMBL6902040

SCHEMBL6902040

C1COC(CCC(CC2=NCCO2)C2=NCCO2)=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
SCHEMBL10535580 0.90
SCHEMBL10537773 0.89
SCHEMBL6577696 0.87 ADRA2A (0.30)
SCHEMBL21061946 0.85
SCHEMBL8100084 0.80 ADRA2A (0.32)
SCHEMBL5560962 0.77 ADRA2A (0.33)
SCHEMBL8102055 0.76 ADRA2A (0.33)
SCHEMBL6576319 0.74 ADRA2A (0.31)
SCHEMBL24760645 0.73
SCHEMBL1299225 0.73 ADRA2A (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1029119-B1 SUPERABSORBING FIBRES AND FILMS AND PROCESSES FOR PREPARING SAME SOLUTIA INC (US) 2004-02-18 EP disclosed
US-6465536-B2 CONDENSATION POLYMERIZATION OF L-ASPARTIC ACID FORMING POLYSUCCINIMIDE, REACTING WITH MONOAMINE FORMING POLYAMIDEIMIDE INTERMEDIATE, HYDROLYZING, ACIDIFYING, THEN CROSSLINKING SOLUTIA, INC. 2002-10-15 US disclosed
US-20020055611-A1 Superabsorbing fibers and films and processes for preparing same SOLUTIA INC. 2002-05-09 US disclosed
EP-1030873-B1 SUPERABSORBING COMPOSITIONS AND PROCESSES FOR PREPARING SAME SOLUTIA INC (US) 2001-09-26 EP disclosed
US-6294588-B1 REACTING POLYSUCCINIMIDE MONOAMINES TO FORM AN INTERNALLY PLASTICIZED POLY(IMIDE-CO-AMIDE) INTERMEDIATE; HYDROLYSIS; ACIDIDFICATION; MIXING CROSSLINKER; FORMING FILM; CROSSLINKING TO FORM CROSSLINKED FILM SOLUTIA INC. 2001-09-25 US disclosed
US-6162541-A Superabsorbing compositions and processes for preparing same SOLUTIA INC. (US) 2000-12-19 US disclosed
US-5997791-A Superabsorbing fibers and films and processes for preparing same SOLUTIA INC. (US) 1999-12-07 US disclosed
US-4806588-A BLEND OF PET, POLYETHERS, BLOCK POLYMERS, IONOMERS, OXAZOLINE COMPOUNDS, POLYESTER ELASTOMERS, GLASS FIBERS TOYO BOSEKI KABUSHIKI KAISHA (JP) 1989-02-21 US disclosed