SCHEMBL6430652

SCHEMBL6430652

Fc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ACHE P22303 1/20 0.40
IDO1 P14902 3/20 0.35
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 1/20 0.35
TRPV6 Q9H1D0 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
NFE2L2 Q16236 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL689497 0.97 CA1 (0.42) CA1CA2CA7CA9ACHE
SCHEMBL912936 0.93 CA1 (0.40) CA1CA2CA7CA9ACHE
Potassium Ion SCHEMBL3683077 0.93 CA1 (0.40) CA1CA2CA7CA9ACHE
Lithium Ion SCHEMBL1451658 0.93 CA1 (0.40) CA1CA2CA7CA9ACHE
SCHEMBL29853334 0.93 CA1 (0.40) CA1CA2CA7CA9ACHE
SCHEMBL623289 0.93 CA1 (0.40) CA1CA2CA7CA9ACHE
Silver SCHEMBL1451626 0.93 CA1 (0.40) CA1CA2CA7CA9ACHE
Water SCHEMBL16539351 0.93 CA1 (0.40) CA1CA2CA7CA9ACHE
Water SCHEMBL2688804 0.90 CA1 (0.38) CA1CA2CA7CA9ACHE
Silver SCHEMBL9414258 0.90 CA1 (0.38) CA1CA2CA7CA9ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1454921-B1 RADICAL POLYMERIZATION CATALYSTS AND ADHESIVE KIT FOR DENTAL USE TOKUYAMA CORP (JP) 2021-07-28 EP disclosed
US-20050009946-A1 Radical polymerization catalyst and adhesive kit for dental use TOKUYAMA CORPORATION (JP) 2005-01-13 US disclosed
EP-1454921-A1 RADICAL POLYMERIZATION CATALYSTS AND ADHESIVE KIT FOR DENTAL USE Tokuyama Corporation (JP) 2004-09-08 EP disclosed
EP-1006119-B1 NOVEL CRYSTALLINE ION-ASSOCIATION SUBSTANCE, PROCESS FOR PRODUCING THE SAME, AND LATENT PHOTOPOLYMERIZATION INITIATOR AUTEX INC (JP) 2003-09-03 EP disclosed
US-6387975-B1 ORGANOMETALLIC COMPOUND COMPLEX AUTEX, INC. (JP) 2002-05-14 US disclosed
EP-1006119-A1 NOVEL CRYSTALLINE ION-ASSOCIATION SUBSTANCE, PROCESS FOR PRODUCING THE SAME, AND LATENT PHOTOPOLYMERIZATION INITIATOR AUTEX, INC. (JP) 2000-06-07 EP disclosed