SCHEMBL5680264

SCHEMBL5680264

NCCNOC(=O)O.[CaH2]

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
Ammonia Solution, Strong SCHEMBL2565452 0.98 GABRR1 (0.30)
SCHEMBL11494521 0.95 GABRR1 (0.31)
Ammonia Solution, Strong SCHEMBL28793641 0.95
SCHEMBL10822151 0.95
SCHEMBL5181654 0.79 CA12 (0.33)
SCHEMBL8341745 0.79 PAOX (0.34)
SCHEMBL11173958 0.78 ALDH1A1 (0.31)
SCHEMBL25355514 0.77 CA12 (0.32)
SCHEMBL28555270 0.77 CA12 (0.32)
SCHEMBL6565216 0.77 CA12 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1525280-B1 AQUEOUS RESIN DISPERSION FOR FLOORS, AND FLOOR POLISH USING SAME JOHNSON DIVERSEY INC (US) 2006-03-01 EP disclosed
EP-1525280-A1 AQUEOUS RESIN DISPERSION FOR FLOORS, AND FLOOR POLISH USING SAME JohnsonDiversey, Inc. (US) 2005-04-27 EP disclosed
EP-1406981-A1 FLOOR POLISH COMPOSITION JohnsonDiversey, Inc. (US) 2004-04-14 EP disclosed
WO-2004011567-A1 AQUEOUS RESIN DISPERSION FOR FLOORS, AND FLOOR POLISH USING SAME JOHNSONDIVERSEY, INC. (US) 2004-02-05 WO disclosed
WO-2003002678-A1 FLOOR POLISH COMPOSITION JOHNSONDIVERSEY, INC. (US) 2003-01-09 WO disclosed
EP-0228481-A1 Coating composition YUHO CHEMICALS INC. (JP) 1987-07-15 EP disclosed
US-4622360-A FLOORS, POLYURETHANE CONTAINING CARBOXYLATE GROUPS CROSSLINKED WITH METAL YUHO CHEMICALS INC. (JP) 1986-11-11 US disclosed