SCHEMBL7939094

SCHEMBL7939094

O=P([O-])([O-])C(N(C(P(=O)([O-])[O-])P(=O)([O-])[O-])C(P(=O)([O-])[O-])P(=O)([O-])[O-])P(=O)([O-])[O-].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2]

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
SCHEMBL7940236 0.93
SCHEMBL906524 0.93 LMNA (0.30)
SCHEMBL7931667 0.93
SCHEMBL7939080 0.93
Potassium Ion SCHEMBL6009416 0.93 SLC34A1 (0.35)
Zinc Ion SCHEMBL7939073 0.93
SCHEMBL8667339 0.93
SCHEMBL8647077 0.90
Ammonia Solution, Strong SCHEMBL9478819 0.90
SCHEMBL1766191 0.80 FDPS (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1116772-A1 FLAME RETARDANT COMPOSITION AND FLAME-RETARDANT RESIN COMPOSITION NIPPON CHEMICAL INDUSTRIAL COMPANY LIMITED (JP) 2001-07-18 EP disclosed