SCHEMBL6571139

SCHEMBL6571139

Nc1c(N)c(C(=O)OC(=O)O)c(N)c(N)c1C(=O)OC(=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
SCHEMBL9116152 0.74 CYP1A2 (0.33)
Ethylene SCHEMBL8773071 0.64 CA1 (0.33)
Hydrazine SCHEMBL28202124 0.64
Hydroxyamine SCHEMBL27949209 0.64
Ethylene SCHEMBL9567397 0.64 CA1 (0.33)
Ethylene SCHEMBL11175972 0.64
SCHEMBL7266193 0.63 CYP1A2 (0.38)
SCHEMBL31313730 0.63 CA1 (0.40)
SCHEMBL7793 0.63
Ethylene SCHEMBL9639444 0.61 CA1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372833-A2 POLYMERIC MEMBRANE FOR SEPARATION OF FLUIDS UNDER ELEVATED TEMPERATURE AND/OR PRESSURE CONDITIONS Board of Regents, The University of Texas System (US) 2004-01-02 EP disclosed
US-6602415-B2 Performance BOARD OF REGENTS, THE UNIVERSITY OF TEXAS 2003-08-05 US disclosed
US-20020153315-A1 Polymeric membrane for separation of fluids under elevated temperature and/or pressure conditions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS 2002-10-24 US disclosed
WO-2002064242-A2 POLYMERIC MEMBRANE FOR SEPARATION OF FLUIDS UNDER ELEVATED TEMPERATURE AND/OR PRESSURE CONDITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-08-22 WO disclosed