SCHEMBL5166755

SCHEMBL5166755

Cc1ccc([Al-](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1cccc([NH3+])c1C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.34
ATM Q13315 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.31
ACHE P22303 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 3/20 0.31
CYP2A6 P11509 2/20 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
SCHEMBL5167013 0.83 RAPGEF4 (0.37) TRPA1ATMRAPGEF4ACHE
SCHEMBL2124266 0.81 ACHE (0.38) TRPA1ATMRAPGEF4ACHECYP1A2
SCHEMBL6694445 0.77 TRPA1 (0.41) TRPA1ATMRAPGEF4ACHECYP1A2
SCHEMBL2125235 0.77 TRPA1 (0.34) TRPA1ATMRAPGEF4ACHETDP1
SCHEMBL5080684 0.77 CYP1A2 (0.35) TRPA1ATMRAPGEF4ACHETDP1
SCHEMBL1450688 0.73 ACHE (0.57) ACHETDP1CYP1A2CYP2A6
SCHEMBL28411487 0.73 TRPA1 (0.41) TRPA1ATMRAPGEF4ACHETDP1
SCHEMBL4630491 0.72 TRPA1 (0.33) TRPA1ATMACHE
P-Xylene SCHEMBL1959829 0.71 ACHE (0.53) TRPA1ATMRAPGEF4ACHETDP1
Potassium Ion SCHEMBL134458 0.71 ACHE (0.53) ACHETDP1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007518871-A 2007-07-12 JP claimed
EP-1778749-A2 POLYMERIZATION CATALYSTS FOR PRODUCING POLYMERS WITH LOW LEVELS OF LONG CHAIN BRANCHING Chevron Phillips Chemical Company LP (US) 2007-05-02 EP claimed
EP-1706437-A1 DUAL METALLOCENE CATALYST FOR PRODUCING FILM RESINS WITH GOOD MACHINE DIRECTION (MD) ELMENDORF TEAR STRENGTH Chevron Phillips Chemical Company LP (US) 2006-10-04 EP claimed
WO-2006004709-A2 POLYMERIZATION CATALYSTS FOR PRODUCING POLYMERS WITH LOW LEVELS OF LONG CHAIN BRANCHING CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2006-01-12 WO claimed
WO-2005070977-A1 DUAL METALLOCENE CATALYST FOR PRODUCING FILM RESINS WITH GOOD MACHINE DIRECTION (MD) ELMENDORF TEAR STRENGTH CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2005-08-04 WO claimed
EP-1778749-A2 POLYMERIZATION CATALYSTS FOR PRODUCING POLYMERS WITH LOW LEVELS OF LONG CHAIN BRANCHING Chevron Phillips Chemical Company LP (US) 2007-05-02 EP disclosed
EP-1773897-A2 IMPROVED ACIDIC ACTIVATOR-SUPPORTS AND CATALYSTS FOR OLEFIN POLYMERIZATION Chevron Phillips Chemical Company LP (US) 2007-04-18 EP disclosed
EP-1773899-A2 POLYMERIZATION CATALYSTS FOR PRODUCING POLYMERS WITH LOW LEVELS OF LONG CHAIN BRANCHING Chevron Phillips Chemical Company LP (US) 2007-04-18 EP disclosed
EP-1706437-A1 DUAL METALLOCENE CATALYST FOR PRODUCING FILM RESINS WITH GOOD MACHINE DIRECTION (MD) ELMENDORF TEAR STRENGTH Chevron Phillips Chemical Company LP (US) 2006-10-04 EP disclosed
WO-2006012321-A2 IMPROVED ACIDIC ACTIVATOR-SUPPORTS AND CATALYSTS FOR OLEFIN POLYMERIZATION CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2006-02-02 WO disclosed
WO-2006004789-A2 POLYMERIZATION CATALYSTS FOR PRODUCING POLYMERS WITH LOW LEVELS OF LONG CHAIN BRANCHING CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2006-01-12 WO disclosed
WO-2006004709-A2 POLYMERIZATION CATALYSTS FOR PRODUCING POLYMERS WITH LOW LEVELS OF LONG CHAIN BRANCHING CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2006-01-12 WO disclosed
WO-2005070977-A1 DUAL METALLOCENE CATALYST FOR PRODUCING FILM RESINS WITH GOOD MACHINE DIRECTION (MD) ELMENDORF TEAR STRENGTH CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2005-08-04 WO disclosed