SCHEMBL8745440

SCHEMBL8745440

COC(CCNc1nc(NCCC(OC)C2CC(C)(C)NC(C)(C)C2)nc(N(CCCN(c2nc(NCCC(OC)C3CC(C)(C)NC(C)(C)C3)nc(NCCC(OC)C3CC(C)(C)NC(C)(C)C3)n2)c2nc(NCCC(OC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCC(OC)C3CC(C)(C)NC(C)(C)C3)c3nc(NCCC(OC)C4CC(C)(C)NC(C)(C)C4)nc(NCCC(OC)C4CC(C)(C)NC(C)(C)C4)n3)n2)CCNCCCN)n1)C1CC(C)(C)NC(C)(C)C1

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
SCHEMBL4345117 0.89
SCHEMBL4329104 0.89
SCHEMBL8870597 0.81
SCHEMBL9398587 0.77 SMN1; SMN2 (0.32)
SCHEMBL9402860 0.74
SCHEMBL9439977 0.74
SCHEMBL10405396 0.73
SCHEMBL10908393 0.73 KCNH3 (0.33)
SCHEMBL9861700 0.73 KCNH3 (0.33)
SCHEMBL9398606 0.72 SMN1; SMN2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524640-B1 Diarylphosphinous acid arylesters, process for their preparation and their use to stabilize polymers, in particular polyolefin moulding compositions HOECHST AG (DE) 1997-01-29 EP disclosed
US-5281640-A For thermoplastic or thermosetting plastics, polymer-containing polymerized mono- or diolefin molding materials HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-25 US disclosed
EP-0524640-A1 Diarylphosphinous acid arylesters, process for their preparation and their use to stabilize polymers, in particular polyolefin moulding compositions HOECHST AKTIENGESELLSCHAFT (DE) 1993-01-27 EP disclosed