SCHEMBL6428385

SCHEMBL6428385

CCCC[B-](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.40
PSMD14 O00487 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MMP2 P08253 1/20 0.36
MC4R P32245 1/20 0.36
RAD52 P43351 1/20 0.36
HPGD P15428 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
TRPA1 O75762 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
LMNA P02545 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
SCHEMBL308587 0.98 HTR7 (0.41) HTR7PSMD14HSP90AA1MMP2MC4R
Lithium Ion SCHEMBL8757202 0.96 HTR7 (0.40) HTR7PSMD14HSP90AA1MMP2MC4R
SCHEMBL2801848 0.96 HTR7 (0.40) HTR7PSMD14HSP90AA1MMP2MC4R
SCHEMBL18036988 0.90 PSMD14 (0.42) HTR7PSMD14HSP90AA1MMP2MC4R
SCHEMBL26287050 0.82 PSMD14 (0.37) HTR7PSMD14HSP90AA1MMP2MC4R
Tetrabuthylammonium SCHEMBL18036963 0.82 PSMD14 (0.44) HTR7PSMD14HSP90AA1MMP2MC4R
SCHEMBL8757622 0.81 HTR7 (0.31) HTR7HDAC3HDAC1HDAC2
SCHEMBL307072 0.78 HTT (0.38) HPGDTSHRACHELMNA
SCHEMBL8757360 0.77 CYP1A2 (0.39) HDAC3HDAC1HDAC2TP53LMNA
SCHEMBL8757415 0.77 SMN1; SMN2 (0.40) MMP2HPGDHDAC3HDAC1HDAC2

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 3 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