SCHEMBL8669773

SCHEMBL8669773

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.35
NFE2L2 Q16236 3/20 0.33
FBP1 P09467 1/20 0.33
CA1 P00915 1/20 0.32
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL8666221 0.86 MAOB (0.44) RELANFE2L2ALOX5
SCHEMBL8666378 0.84 RELA (0.33) RELANFE2L2PTGS1PTGS2
SCHEMBL8667252 0.78 NFE2L2 (0.35) RELANFE2L2FBP1CA1ALOX5
SCHEMBL8666874 0.75
Phenol SCHEMBL8666412 0.73 ALDH1A1 (0.31)
Butadiene SCHEMBL8668450 0.73
SCHEMBL8665706 0.71
SCHEMBL8666362 0.71 MAOB (0.40) NFE2L2ALOX5
Hydrochloric Acid SCHEMBL4633070 0.70
SCHEMBL8669749 0.70 NFE2L2 (0.31) NFE2L2

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 3 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
US-5543480-A USING GROUP 4 METAL COMPLEXES CONTAINING A DIENE MOIETY THE DOW CHEMICAL COMPANY (US) 1996-08-06 US disclosed