SCHEMBL7203717

SCHEMBL7203717

C[SiH2]C.Cc1cc(C2=Cc3ccccc3C2[Zr]C2C(c3cc(C)cc4ccccc34)=Cc3ccccc32)c2ccccc2c1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37

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
SCHEMBL8503273 0.96 CYP1A2 (0.40) CYP1A2CYP2A6
SCHEMBL5476789 0.79 CYP1A2 (0.39) CYP1A2CYP2A6
SCHEMBL8020332 0.78 PTPN1 (0.35)
Hydrochloric Acid SCHEMBL7196886 0.77 CYP1A2 (0.40) CYP1A2CYP2A6
Hydrochloric Acid SCHEMBL8426784 0.77 CYP1A2 (0.40) CYP1A2CYP2A6
SCHEMBL7055041 0.77 CYP1A2 (0.40) CYP1A2CYP2A6
SCHEMBL7054873 0.76 CYP1A2 (0.39) CYP1A2CYP2A6
SCHEMBL5481647 0.75 CYP1A2 (0.38) CYP1A2CYP2A6
SCHEMBL7053235 0.74 CYP1A2 (0.37) CYP1A2CYP2A6
SCHEMBL7201915 0.74 CYP1A2 (0.37) CYP1A2CYP2A6

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 7 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
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
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