SCHEMBL7204965

SCHEMBL7204965

C1=CC(CC([Zr]C(CC2C=Cc3ccccc32)C2C=Cc3ccccc32)C2C=Cc3ccccc32)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
HTR2A P28223 1/20 0.33
SIGMAR1 Q99720 2/20 0.31

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
SCHEMBL4447745 0.79 HTR6 (0.44) HTR6HTR2ASIGMAR1
SCHEMBL6856381 0.79 HTR6 (0.44) HTR6HTR2ASIGMAR1
SCHEMBL31124932 0.79 HTR6 (0.44) HTR6HTR2ASIGMAR1
SCHEMBL1539652 0.79 HTR6 (0.44) HTR6HTR2ASIGMAR1
SCHEMBL7208330 0.79 HTR6 (0.44) HTR6HTR2ASIGMAR1
SCHEMBL9226165 0.79 HTR6 (0.44) HTR6HTR2ASIGMAR1
SCHEMBL4803083 0.75 HTR6 (0.41) HTR6HTR2ASIGMAR1
SCHEMBL4651453 0.75 HTR6 (0.41) HTR6HTR2ASIGMAR1
SCHEMBL6912962 0.75 HTR6 (0.44) HTR6HTR2ASIGMAR1
SCHEMBL6911689 0.75 HTR6 (0.41) HTR6HTR2ASIGMAR1

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 6 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 disclosed
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 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
EP-0775148-A1 BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1997-05-28 EP disclosed
WO-1996004290-A1 BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1996-02-15 WO disclosed