SCHEMBL5754511

SCHEMBL5754511

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr](Cl)(Cl)C1C(C(C)C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21.C[Si](C)(O)O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.32
ENPP3 O14638 1/20 0.30
ENPP1 P22413 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
SCHEMBL2524114 0.96 GPR84 (0.31) GPR84
SCHEMBL9937426 0.96 GPR84 (0.31) GPR84
SCHEMBL4758198 0.87
SCHEMBL15313129 0.86
SCHEMBL2524671 0.85 NPC1 (0.30)
SCHEMBL6909458 0.85
SCHEMBL2522715 0.82 BRD4 (0.31)
SCHEMBL7129466 0.81 GPR84 (0.30) GPR84
SCHEMBL6908090 0.80 EDNRB (0.31)
SCHEMBL2523910 0.79 BRD4 (0.33)

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
EP-1625168-A1 TRANSITION-METAL COMPLEXES WITH TRIDENTATE, NITROGEN-CONTAINING LIGANDS Basell Polyolefine GmbH (DE) 2006-02-15 EP disclosed
WO-2004104052-A1 TRANSITION-METAL COMPLEXES WITH TRIDENTATE, NITROGEN-CONTAINING LIGANDS BASELL POLYOLEFINE GMBH (DE) 2004-12-02 WO disclosed