SCHEMBL6676884

SCHEMBL6676884

O=[N+]([O-])c1cccc(B2OB(c3cccc([N+](=O)[O-])c3)OB(c3cccc([N+](=O)[O-])c3)O2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.59
LMNA P02545 2/20 0.59
ALDH1A1 P00352 6/20 0.50
ACHE P22303 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALOX15 P16050 1/20 0.50
HSP90AA1 P07900 1/20 0.48
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
TP53 P04637 1/20 0.46
NFE2L2 Q16236 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
MAPT P10636 1/20 0.44
FBP1 P09467 1/20 0.43
VCP P55072 1/20 0.43

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
SCHEMBL20312400 0.85 TSHR (0.55) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL6691480 0.84 TSHR (0.53) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL103381 0.82 TSHR (0.52) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL14983361 0.81 TSHR (0.50) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL20312428 0.81 TSHR (0.50) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL27511176 0.81 TSHR (0.50) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL13043980 0.79 TSHR (0.47) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL14243606 0.77 TP53 (0.47) TSHRLMNAALDH1A1ALOX15HSP90AA1
SCHEMBL3226509 0.77 TP53 (0.47) TSHRLMNAALDH1A1ALOX15HSP90AA1
SCHEMBL30238975 0.77 TP53 (0.47) TSHRLMNAALDH1A1ALOX15HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017044043-A1 PROCESS FOR DIRECT AMIDATION OF AMINES VIA RH(I)-CATALYZED ADDITION OF BOROXINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-03-16 WO claimed
WO-2017044043-A1 PROCESS FOR DIRECT AMIDATION OF AMINES VIA RH(I)-CATALYZED ADDITION OF BOROXINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-03-16 WO disclosed
US-8945820-B2 Silicon-containing resist underlayer film-forming composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-8945820-B2 Silicon-containing resist underlayer film-forming composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-20130137271-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-20130137271-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-05-30 US disclosed
EP-1137641-B1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL CO (JP) 2004-11-10 EP disclosed
US-6500951-B1 RING CLOSING A CARBOXYLIC ACID DERIVATIVE IN PRESENCE OF A NITROGEN CONTAINING AROMATIC COMPOUND AND A BORON COMPOUND; HIGH YIELD AND PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-31 US disclosed