SCHEMBL8182003

SCHEMBL8182003

COc1ccc(C(OB(O)F)(c2ccccc2)c2ccccc2)cc1.OB(O)F.OB(O)F.OB(O)F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.42
KCNH2 Q12809 1/20 0.42
CA4 P22748 1/20 0.41
LTA4H P09960 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ENPP2 Q13822 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
AHR P35869 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL723306 0.86 ALDH1A1 (0.37) KIF11KCNH2CA4ENPP2
SCHEMBL9004518 0.86 ALDH1A1 (0.37) KIF11KCNH2CA4ENPP2
SCHEMBL1333551 0.84 ALDH1A1 (0.39) KIF11KCNH2CA4ENPP2
Ammonia Solution, Strong SCHEMBL9347147 0.82 ALDH1A1 (0.37) KIF11KCNH2CA4ENPP2
Hydrochloric Acid SCHEMBL30389842 0.77 CA4 (0.52) KIF11KCNH2CA4LTA4HCA1
Pyridine SCHEMBL6516960 0.77 TSHR (0.34) KIF11
SCHEMBL19620174 0.75 CA4 (0.50) KIF11KCNH2CA4LTA4HCA1
SCHEMBL434969 0.75 CA4 (0.54) KIF11KCNH2CA4LTA4HCA1
SCHEMBL8784660 0.75 CA4 (0.54) KIF11KCNH2CA4LTA4HCA1
SCHEMBL774134 0.75 CA4 (0.54) KIF11KCNH2CA4LTA4HCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015162130-A1 BASE-MODIFIED-NUCLEOSIDE ANALOGS FOR THE DETECTION OF O6-ALKYL GUANINE ETH ZURICH (CH) 2015-10-29 WO disclosed
US-6107039-A MIXING SAMPLE OF NUCLEIC ACID SEQUENCE TO BE ANALYZED WITH OLIGONUCLEOTIDE PROBE CONTAINING AT LEAST ONE THIOL-PROTECTED PYRIMIDINE NUCLEOTIDE, EXPOSING TO ENDONUCLEASE, AND IDENTIFYING FRAGMENTS HAVING HYBRIDIZED PROBE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2000-08-22 US disclosed
US-6008334-A MODIFIED PYRIMIDINE NUCLEOSIDES/NUCLEOTIDES WITH PROTECTED THIOL GROUP ATTACHED AT 5 POSITION OF BASE THAT IS NOT INVOLVED IN WATSON-CRICK BASE PARING; FOR USE IN CHEMICAL AND ENZYMATIC SYNTHESIS OF NUCLEIC ACIDS THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 1999-12-28 US disclosed
WO-1998003532-A9 BASE-PROTECTED NUCLEOTIDE ANALOGS WITH PROTECTED THIOL GROUPS 1998-05-28 WO disclosed