SCHEMBL7205026

SCHEMBL7205026

CC1=Cc2c(-c3ccccc3)ccc(-c3ccccc3)c2C1[Zr]1(C2C(C)=Cc3c(-c4ccccc4)ccc(-c4ccccc4)c32)CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.32
CYP2A6 P11509 1/20 0.30
CYP2B6 P20813 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
SCHEMBL7046629 0.79 CHRNB2 (0.35)
Hydrochloric Acid SCHEMBL6063831 0.78 CHRNB2 (0.34)
SCHEMBL6434163 0.76 BRD4 (0.34)
SCHEMBL7049009 0.74 CHRNB2 (0.33)
Hydrochloric Acid SCHEMBL6064049 0.73 CHRNB2 (0.33)
Hydrochloric Acid SCHEMBL7129750 0.73 CHRNB2 (0.33)
SCHEMBL690035 0.70 ESR2 (0.31) ESR2
SCHEMBL6434202 0.70 ALDH1A1 (0.33)
Hydrochloric Acid SCHEMBL27670353 0.69 ESR2 (0.36) ESR2CYP2A6CYP2B6
SCHEMBL27757694 0.69 ESR2 (0.36) ESR2CYP2A6CYP2B6

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