SCHEMBL5167013

SCHEMBL5167013

Cc1cc(C)cc([Al-](c2cc(C)cc(C)c2)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1.Cc1cccc([NH3+])c1C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.37
ACHE P22303 1/20 0.34
TRPA1 O75762 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL2124266 0.87 ACHE (0.38) RAPGEF4ACHETRPA1ATM
SCHEMBL5166755 0.83 TRPA1 (0.34) RAPGEF4ACHETRPA1ATM
SCHEMBL6694445 0.76 TRPA1 (0.41) RAPGEF4ACHETRPA1ATM
SCHEMBL5080684 0.75 CYP1A2 (0.35) RAPGEF4ACHETRPA1ATM
SCHEMBL692221 0.72 RAPGEF4 (0.58) RAPGEF4ACHETRPA1ATM
SCHEMBL1451703 0.72 ALDH1A1 (0.44) RAPGEF4ACHE
SCHEMBL28411487 0.71 TRPA1 (0.41) RAPGEF4ACHETRPA1ATM
SCHEMBL4630491 0.70 TRPA1 (0.33) ACHETRPA1ATM
SCHEMBL137999 0.70 ALDH1A1 (0.42) RAPGEF4ACHE
Potassium Ion SCHEMBL134936 0.70 ALDH1A1 (0.42) RAPGEF4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
EP-1773897-A2 IMPROVED ACIDIC ACTIVATOR-SUPPORTS AND CATALYSTS FOR OLEFIN POLYMERIZATION Chevron Phillips Chemical Company LP (US) 2007-04-18 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