SCHEMBL28423830

SCHEMBL28423830

CC(CC1=C[CH]c2cc3c(cc21)CCC3)c1ccccc1.[Zr]

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
NISCH Q9Y2I1 3/20 0.33
TAAR1 Q96RJ0 3/20 0.33
AOC3 Q16853 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL20996637 0.94 MAOA (0.32) MAOAMAOBNISCHTAAR1
SCHEMBL25289691 0.79
SCHEMBL30307381 0.76 MAOA (0.35) MAOAMAOBNISCHTAAR1AOC3
SCHEMBL20996632 0.76 MAOA (0.35) MAOAMAOBNISCHTAAR1AOC3
SCHEMBL23273332 0.76 MAOA (0.35) MAOAMAOBNISCHTAAR1AOC3
SCHEMBL30307365 0.76 MAOA (0.35) MAOAMAOBNISCHTAAR1AOC3
SCHEMBL28804643 0.75 MAOA (0.34) MAOAMAOBNISCHTAAR1AOC3
SCHEMBL22982019 0.73 MAOA (0.35) MAOAMAOBNISCHTAAR1AOC3
SCHEMBL28422069 0.72 MAOA (0.32) MAOAMAOBNISCHTAAR1
SCHEMBL30307427 0.72 MAOA (0.32) MAOAMAOBNISCHTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111406078-B Catalyst for preparing polyethylene with broad bimodal molecular weight distribution 埃克森美孚化学专利公司 2023-03-10 CN disclosed
CN-111406078-A Catalyst for preparing polyethylene with broad bimodal molecular weight distribution 埃克森美孚化学专利公司 2020-07-10 CN disclosed