SCHEMBL8041103

SCHEMBL8041103

COc1cc2c(cc1OC)C([Zr](Cl)(Cl)(C1C=Cc3cc(OC)c(OC)cc31)[SiH](C)C)C=C2

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.36
CCL2 P13500 1/20 0.36
CYP3A4 P08684 1/20 0.33
CA2 P00918 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
SCHEMBL7208113 0.73
SCHEMBL9016934 0.67 BRD4 (0.42) BRD4CCL2CYP3A4CA2
SCHEMBL28130908 0.67 BRD4 (0.42) BRD4CCL2CYP3A4CA2
SCHEMBL7032000 0.67 BRD4 (0.42) BRD4CCL2CYP3A4CA2
SCHEMBL28131615 0.67 BRD4 (0.42) BRD4CCL2CYP3A4CA2
SCHEMBL9016938 0.67 BRD4 (0.40) BRD4CCL2CYP3A4
SCHEMBL7826476 0.67 BRD4 (0.40) BRD4CCL2CYP3A4
Hydrochloric Acid SCHEMBL9016936 0.66 BRD4 (0.41) BRD4CCL2CYP3A4CA2
SCHEMBL8041045 0.65 BRD4 (0.41) BRD4CCL2CYP3A4CA2
Hydrochloric Acid SCHEMBL7823998 0.65 BRD4 (0.41) BRD4CCL2CYP3A4CA2

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
US-6087292-A Metallocene catalysts comprising indenyl ligands substituted with electronegative groups TANGOR GMBH (DE) 2000-07-11 US disclosed
US-5763542-A Process for the preparation of an olefin polymer using specific metallocenes TARGOR GMBH (DE) 1998-06-09 US disclosed
US-5504232-A Process for the preparation of an olefin polymer using specific metallocenes HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-02 US disclosed