SCHEMBL8601127

SCHEMBL8601127

CC(C)CN(CC(C)C)[Ti](Cl)(N(CC(C)C)CC(C)C)N(CC(C)C)CC(C)C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PIK3CD O00329 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
SCHEMBL8599324 0.81 CYP1A2 (0.31) CYP1A2MAPK1CA12CA1CA2
SCHEMBL8600075 0.81 CYP1A2 (0.31) CYP1A2MAPK1CA12CA1CA2
SCHEMBL8602694 0.73 CA12 (0.33) CYP1A2MAPK1CA12CA1CA2
SCHEMBL6564749 0.69
SCHEMBL3209691 0.62
SCHEMBL4031294 0.62 CA12 (0.41) CYP1A2MAPK1CA12CA1CA2
SCHEMBL3380019 0.62
SCHEMBL1678748 0.62 CA12 (0.35) CYP1A2MAPK1CA12CA1CA2
SCHEMBL65000 0.60 CYP1A2 (0.53) CYP1A2MAPK1CA12CA1CA2
SCHEMBL21574005 0.60 CA12 (0.38) CYP1A2MAPK1CA12CA1CA2

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-0571945-B1 Catalyst for copolymerizing ethylene with alpha-olefin and process for producing ethylene-alpha-olefin copolymer using the catalyst SUMITOMO CHEMICAL CO (JP) 1998-02-04 EP disclosed
US-5508364-A USING A ZIELGER CATALYST CONTAINING A TITANIUM COMPOUND WITH TITANIUM NITROGEN BOND, ORGANOMAGNESIUM AND ORGANOALUMINUM COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-16 US disclosed
EP-0571945-A2 Catalyst for copolymerizing ethylene with alpha-olefin and process for producing ethylene-alpha-olefin copolymer using the catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-12-01 EP disclosed