SCHEMBL1451900

SCHEMBL1451900

FC(F)(F)c1cc(C(F)(F)F)cc([Al-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.FC(F)(F)c1cc(C(F)(F)F)cc([Al-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.[Mg+2]

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
IDO1 P14902 2/20 0.38
ADRB1 P08588 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 3/20 0.33
MAPT P10636 2/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
XPO1 O14980 1/20 0.31
CA2 P00918 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HIF1A Q16665 1/20 0.31
TXNRD1 Q16881 1/20 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
SCHEMBL1450852 0.97 CES2 (0.44) CES2IDO1ADRB1GAAALDH1A1
SCHEMBL913365 0.94 CES2 (0.42) CES2IDO1ADRB1GAAALDH1A1
SCHEMBL6142806 0.94 CES2 (0.42) CES2IDO1ADRB1GAAALDH1A1
Potassium Ion SCHEMBL1451670 0.94 CES2 (0.42) CES2IDO1ADRB1GAAALDH1A1
Lithium Ion SCHEMBL1451316 0.94 CES2 (0.42) CES2IDO1ADRB1GAAALDH1A1
SCHEMBL440959 0.78 CES2 (0.58) CES2IDO1ADRB1ALDH1A1TSHR
SCHEMBL4258831 0.77 ALDH1A1 (0.41) IDO1ALDH1A1TSHRMAPT
SCHEMBL4264056 0.74 CTSL (0.38) GAAALDH1A1MAPTRAPGEF4RXRA
SCHEMBL12816202 0.74 ALDH1A1 (0.39) IDO1ALDH1A1TSHRMAPT
SCHEMBL2095504 0.73 CES2 (0.48) CES2IDO1ADRB1GAAALDH1A1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1034196-B1 CATALYST AND METHODS FOR POLYMERIZING CYCLOOLEFINS PROMERUS LLC (US) 2005-01-12 EP claimed
US-20030023013-A1 Catalyst and methods for polymerizing cycloolefins THE B.F.GOODRICH COMPANY 2003-01-30 US claimed
US-6455650-B1 CONTACTING POLYCYCLOOLEFIN MONOMER WITH A HIGH ACTIVITY GROUP 10 TRANSITION METAL CATALYST COMPLEX TO OBTAIN POLYMER PRODUCT THE B.F. GOODRICH COMPANY 2002-09-24 US claimed
US-20020052454-A1 CATALYST AND METHODS FOR POLYMERIZING CYCLOOLEFINS SUMITOMO BAKELITE CO., LTD. (JP) 2002-05-02 US claimed
EP-1034196-A1 CATALYST AND METHODS FOR POLYMERIZING CYCLOOLEFINS THE B.F. GOODRICH COMPANY (US) 2000-09-13 EP claimed
WO-2000020472-A1 CATALYST AND METHODS FOR POLYMERIZING CYCLOOLEFINS THE B.F. GOODRICH COMPANY (US) 2000-04-13 WO claimed
WO-2024095078-A1 COMPOSITIONS INCLUDING A MIXTURE OF ISOMERS OF ITACONIMIDE NORBORNENE AND CITRACONIMIDE NORBORNENE 3M INNOVATIVE PROPERTIES COMPANY (US) 2024-05-10 WO disclosed
US-20240002586-A1 CURABLE COMPOSITIONS, COMPOSITE FOAM, METHOD OF MAKING THE SAME, AND ARTICLE INCLUDING THE SAME 3M INNOVATIVE PROPERTIES COMPANY 2024-01-04 US disclosed
WO-2022118175-A1 CURABLE COMPOSITIONS, COMPOSITE FOAM, METHOD OF MAKING THE SAME, AND ARTICLE INCLUDING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-06-09 WO disclosed
US-7910674-B2 Especially a copolymer of norbornene and/or alkylnorbornene and (trialkoxysilylalkyl)norbornene; optical articles such as ophthalmic lenses, wave guides, optical fibers, and optical adhesives PROMERUS, LLC (US) 2011-03-22 US disclosed
US-6936672-B2 Mold addition polymerization of norbornene-type monomers using group 10 metal complexes SUMITOMO BAKELITE CO., LTD. (JP) 2005-08-30 US disclosed
EP-1155057-B1 IN MOLD ADDITION POLYMERIZATION OF NORBORNENE-TYPE MONOMERS USING GROUP 10 METAL COMPLEXES SUMITOMO BAKELITE CO (JP) 2005-06-22 EP disclosed
US-6903171-B2 Polymerized cycloolefins using transition metal catalyst and end products thereof PROMERUS, LLC (US) 2005-06-07 US disclosed
US-6350832-B1 CATALYTIC COSSLINKING POLYMER OF POLYCYCLOOLEFIN MONOMER, MOLDING AND SHAPING IN THE PRESENCE OF GROUP 10 TRANSITION METAL AND ANION THE B. F. GOODRICH COMPANY 2002-02-26 US disclosed
WO-2002010810-A2 OPTICAL WAVEGUIDES AND METHODS FOR MAKING THE SAME GOODRICH CORPORATION (US) 2002-02-07 WO disclosed
WO-2002010231-A2 POLYMERIC COMPOSITIONS FOR FORMING OPTICAL WAVEGUIDES; OPTICAL WAVEGUIDES FORMED THEREFROM; AND METHODS FOR MAKING SAME GOODRICH CORPORATION (US) 2002-02-07 WO disclosed
EP-1155057-A1 IN MOLD ADDITION POLYMERIZATION OF NORBORNENE-TYPE MONOMERS USING GROUP 10 METAL COMPLEXES The B.F.Goodrich Co. (US) 2001-11-21 EP disclosed
EP-1034196-A1 CATALYST AND METHODS FOR POLYMERIZING CYCLOOLEFINS THE B.F. GOODRICH COMPANY (US) 2000-09-13 EP disclosed
WO-2000034344-A1 IN MOLD ADDITION POLYMERIZATION OF NORBORNENE-TYPE MONOMERS USING GROUP 10 METAL COMPLEXES THE B.F.GOODRICH COMPANY (US) 2000-06-15 WO disclosed
WO-2000020472-A1 CATALYST AND METHODS FOR POLYMERIZING CYCLOOLEFINS THE B.F. GOODRICH COMPANY (US) 2000-04-13 WO disclosed