SCHEMBL6842916

SCHEMBL6842916

O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.O=[Sb]([O-])([O-])F.c1ccc(C[n+]2cccc3ccccc32)cc1.c1ccc(C[n+]2cccc3ccccc32)cc1.c1ccc(C[n+]2cccc3ccccc32)cc1.c1ccc(C[n+]2cccc3ccccc32)cc1.c1ccc(C[n+]2cccc3ccccc32)cc1.c1ccc(C[n+]2cccc3ccccc32)cc1.c1ccc(C[n+]2cccc3ccccc32)cc1.c1ccc(C[n+]2cccc3ccccc32)cc1.c1ccc(C[n+]2cccc3ccccc32)cc1.c1ccc(C[n+]2cccc3ccccc32)cc1.c1ccc(C[n+]2cccc3ccccc32)cc1.c1ccc(C[n+]2cccc3ccccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.59
BCHE P06276 11/20 0.59
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57
APOBEC3A P31941 1/20 0.57
KMT2A Q03164 1/20 0.57
APOBEC3G Q9HC16 1/20 0.57
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
MITF O75030 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL29729955 0.87 ACHE (0.76) ACHEBCHEMEN1POLBAPOBEC3A
SCHEMBL1127587 0.87 ACHE (0.76) ACHEBCHEMEN1POLBAPOBEC3A
Bromide SCHEMBL1069897 0.85 ACHE (0.79) ACHEBCHEMEN1POLBAPOBEC3A
Hydrochloric Acid SCHEMBL1071121 0.85 ACHE (0.73) ACHEBCHEMEN1POLBAPOBEC3A
Hydrochloric Acid SCHEMBL29943765 0.85 ACHE (0.73) ACHEBCHEMEN1POLBAPOBEC3A
SCHEMBL18320448 0.83 ACHE (0.67) ACHEBCHEMEN1POLBAPOBEC3A
SCHEMBL20657095 0.83 ACHE (0.67) ACHEBCHEMEN1POLBAPOBEC3A
SCHEMBL20263107 0.83 ACHE (0.67) ACHEBCHEMEN1POLBAPOBEC3A
SCHEMBL27540774 0.82 ACHE (0.65) ACHEBCHEMEN1POLBAPOBEC3A
Trifluoromethanesulfonic Acid SCHEMBL7021768 0.81 ACHE (0.55) ACHEBCHEMEN1POLBAPOBEC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6093493-A Method for the coating or encapsulation of fluidizable substrates CIBA SPECIALTY CHEMICALS CORP. (US) 2000-07-25 US claimed
US-6764616-B1 BLEND OF EPOXY RESIN, POLYSILOXANE, CYCLIC POLYSILOXANE, AND FLUOROALIPHATIC NONIONIC SURFACTANT; DIELECTRICS HUNTSMAN ADVANCED MATERIALS AMERICAS INC. 2004-07-20 US disclosed