SCHEMBL7599710

SCHEMBL7599710

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr](C)(C)[Si]1([Zr](C)(C)C2C(C)=Cc3c(-c4cccc5ccccc45)cccc32)CCCC1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
HTR1A P08908 2/20 0.30
HTR7 P34969 2/20 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
SCHEMBL7599008 0.85 HTR7 (0.30) HTR1AHTR7
SCHEMBL7598863 0.84 CHRNB2 (0.30)
SCHEMBL28266415 0.82 ALDH1A1 (0.34) MAOAMAOBHTR1AHTR7
SCHEMBL797570 0.82 CNR2 (0.31) HTR7
Hydrochloric Acid SCHEMBL7629330 0.79 CA12 (0.32) MAOAMAOBHTR1AHTR7
SCHEMBL7602794 0.79 CA12 (0.32) MAOAMAOBHTR1AHTR7
SCHEMBL2525070 0.78 CA12 (0.33) MAOAMAOBHTR1AHTR7
SCHEMBL7640575 0.78 CA12 (0.33) MAOAMAOBHTR1AHTR7
SCHEMBL7639241 0.78 CA12 (0.33) MAOAMAOBHTR1AHTR7
Ethane SCHEMBL8631691 0.78 ALDH1A1 (0.33) MAOAMAOB

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
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US claimed
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US disclosed