SCHEMBL2125235

SCHEMBL2125235

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.34
ATM Q13315 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
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
SCHEMBL1899051 0.86 TRPA1 (0.35) TRPA1ATMTSHRSMN1; SMN2ACHE
SCHEMBL5048899 0.85 MEN1 (0.37) TRPA1ATMTSHRSMN1; SMN2ACHE
SCHEMBL1024274 0.83 RAPGEF4 (0.37) TRPA1ATMTSHRSMN1; SMN2RAPGEF4
SCHEMBL5028488 0.81 ACHE (0.38) TRPA1ATMTSHRSMN1; SMN2RAPGEF4
SCHEMBL28411487 0.77 TRPA1 (0.41) TRPA1ATMTSHRSMN1; SMN2RAPGEF4
SCHEMBL5166755 0.77 TRPA1 (0.34) TRPA1ATMRAPGEF4ACHETDP1
SCHEMBL473142 0.73 ACHE (0.57) TSHRACHETDP1CYP1A2CYP2A6
SCHEMBL456893 0.73 P2RX1 (0.36) TRPA1ATMTSHRRAPGEF4
SCHEMBL7460565 0.73 ACHE (0.31) ACHE
SCHEMBL6694445 0.73 TRPA1 (0.41) TRPA1ATMTSHRSMN1; SMN2RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235069-A1 NANO-LINKED METALLOCENE CATALYST COMPOSITIONS AND THEIR POLYMER PRODUCTS Chevron Phillips Chemical Company (US) 2010-10-06 EP claimed
WO-2009085126-A1 NANO-LINKED METALLOCENE CATALYST COMPOSITIONS AND THEIR POLYMER PRODUCTS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2009-07-09 WO claimed
EP-4107194-A1 METALLOCENE CATALYSTS FOR POLYETHYLENE Chevron Phillips Chemical Company LP (US) 2022-12-28 EP disclosed
WO-2021067148-A1 CATALYST COMPOSITION AND METHOD FOR PREPARING POLYETHYLENE CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2021-04-08 WO disclosed
WO-2018170110-A1 LUBRICANT COMPOSITIONS CONTAINING HEXENE-BASED OLIGOMERS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2018-09-20 WO disclosed
EP-2443160-A1 OLIGOMERIZATION OF ALPHA OLEFINS USING METALLOCENE-SSA CATALYST SYSTEMS AND USE OF THE RESULTANT POLYALPHAOLEFINS TO PREPARE LUBRICANT BLENDS Chevron Phillips Chemical Company LP (US) 2012-04-25 EP disclosed
WO-2010147993-A1 OLIGOMERIZATION OF ALPHA OLEFINS USING METALLOCENE-SSA CATALYST SYSTEMS AND USE OF THE RESULTANT POLYALPHAOLEFINS TO PREPARE LUBRICANT BLENDS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2010-12-23 WO 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-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-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