SCHEMBL7202513

SCHEMBL7202513

CCC=[Zr](C1C(C)=Cc2c(-c3ccccc3)cccc21)C1C(C)=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
BRD4 O60885 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL3672617 0.85 BRD4 (0.32) PDCD1CD274BRD4
SCHEMBL7203687 0.82
SCHEMBL7209110 0.82 PDCD1 (0.35) PDCD1CD274BRD4HCRTR1HCRTR2
SCHEMBL6434165 0.81 BRD4 (0.30) BRD4
SCHEMBL5709182 0.80 PDCD1 (0.34) PDCD1CD274BRD4
SCHEMBL7930455 0.79 BRD4 (0.33) PDCD1CD274BRD4
SCHEMBL3163967 0.79 BRD4 (0.33) PDCD1CD274BRD4
SCHEMBL6687090 0.77 PDCD1 (0.35) PDCD1CD274
SCHEMBL7624920 0.77 BCHE (0.33) PDCD1CD274
Hydrochloric Acid SCHEMBL8168468 0.77 BRD4 (0.33) PDCD1CD274BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775148-B2 BISCYCLOPENTADIENYL DIENE COMPLEXES DOW CHEMICAL CO (US) 2003-01-02 EP claimed
US-6465384-B1 BISCYCLOPENTADIENYL GROUP 4 TRANSITION METAL COMPLEXES POSSESSING DIENE LIGANDS AND TO USE AS POLYMERIZATION CATALYSTS THE DOW CHEMICAL COMPANY 2002-10-15 US claimed
US-5972822-A Biscyclopentadienyldiene complex containing addition polymerization catalysts THE DOW CHEMICAL COMPANY (US) 1999-10-26 US claimed
EP-0775148-B1 BISCYCLOPENTADIENYL DIENE COMPLEXES DOW CHEMICAL CO (US) 1999-08-25 EP claimed
EP-0775148-A1 BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1997-05-28 EP claimed
US-5616664-A Polymerization process with biscyclopentadienyl diene complex containing catalysts THE DOW CHEMICAL COMPANY (US) 1997-04-01 US claimed
WO-1996004290-A1 BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1996-02-15 WO claimed
EP-0775148-B2 BISCYCLOPENTADIENYL DIENE COMPLEXES DOW CHEMICAL CO (US) 2003-01-02 EP disclosed
EP-0775148-B1 BISCYCLOPENTADIENYL DIENE COMPLEXES DOW CHEMICAL CO (US) 1999-08-25 EP disclosed
EP-0915098-A2 Biscyclopentadienyl diene complexes, their preparation and catalyst compositions containing them THE DOW CHEMICAL COMPANY (US) 1999-05-12 EP disclosed