SCHEMBL8666378

SCHEMBL8666378

CC(C)(C)[Ti+2]C1=CC=CC1.C[N-]C.C[N-]C.Cc1ccc(C=CC=Cc2ccc(C)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.33
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
NFE2L2 Q16236 1/20 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
SCHEMBL8666362 0.87 MAOB (0.40) NFE2L2
Phenol SCHEMBL8666412 0.86 ALDH1A1 (0.31)
SCHEMBL8669773 0.84 RELA (0.35) RELAPTGS1PTGS2NFE2L2
SCHEMBL8670124 0.77
Butadiene SCHEMBL8669758 0.76
SCHEMBL8667252 0.75 NFE2L2 (0.35) RELAPTGS1PTGS2NFE2L2
SCHEMBL8665313 0.74
Hydrochloric Acid SCHEMBL4633231 0.73
SCHEMBL8667424 0.71
SCHEMBL8666221 0.71 MAOB (0.44) RELANFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767804-B1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS DOW CHEMICAL CO (US) 1998-12-09 EP disclosed
US-5646084-A OLEFIN POLYMERIZATION USING TITANIUM COMPLEX CATALYST AND ACTIVATING COCATALYST THE DOW CHEMICAL COMPANY (US) 1997-07-08 US disclosed
EP-0767804-A1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS THE DOW CHEMICAL COMPANY (US) 1997-04-16 EP disclosed
US-5543480-A USING GROUP 4 METAL COMPLEXES CONTAINING A DIENE MOIETY THE DOW CHEMICAL COMPANY (US) 1996-08-06 US disclosed
WO-1996000742-A1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS THE DOW CHEMICAL COMPANY (US) 1996-01-11 WO disclosed