SCHEMBL4192297

SCHEMBL4192297

Cc1cc(C(=O)O)cc(C)c1OC(=O)c1c2ccccc2[n+](C)c2ccc(O)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.37
MAPT P10636 7/20 0.37
KDM4E B2RXH2 5/20 0.37
HSD17B10 Q99714 3/20 0.37
HTT P42858 2/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 4/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPK10 P53779 1/20 0.35
ACHE P22303 1/20 0.34
PKM P14618 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34

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
Bromide SCHEMBL4190244 0.99 GAA (0.36) GAAMAPTKDM4EHSD17B10HTT
SCHEMBL12907529 0.92 TTR (0.38) GAAMAPTKDM4EHSD17B10HTT
SCHEMBL4178439 0.92 MAPT (0.34) GAAMAPTKDM4EHSD17B10HTT
Bromide SCHEMBL8908965 0.91 TTR (0.37) GAAMAPTKDM4EHSD17B10HTT
SCHEMBL13638337 0.90 MAPT (0.39) GAAMAPTKDM4EHSD17B10HTT
SCHEMBL13963733 0.90 LDHA (0.33) GAAMAPTKDM4EHSD17B10HTT
SCHEMBL13633608 0.89 TTR (0.40) GAAMAPTKDM4EHSD17B10HTT
SCHEMBL4197112 0.89 TTR (0.40) GAAMAPTKDM4EHSD17B10HTT
SCHEMBL13979971 0.88 LMNA (0.43) GAAMAPTKDM4EHSD17B10LMNA
SCHEMBL4192623 0.87 ACHE (0.34) GAAMAPTKDM4EHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403254-B1 Novel applications of acridinium compounds and derivatives in homogeneous assays SIEMENS HEALTHCARE DIAGNOSTICS (US) 2014-09-17 EP disclosed
US-7875467-B2 Chemiluminescence; quantitative analysis of macromolecules; complexing sample to acridinium compound, labels for improving sensitivity of immunoassays, 2',6'-dimethyl-4'-N-succinimidyloxycaproyl-amidocarbonylphenyl-N10-2,7-tris[O-methoxyhexa(ethylene) glycol-sulfonamidylpropyl]-acridinium-9-carboxylate SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2011-01-25 US disclosed
US-7875467-B2 Chemiluminescence; quantitative analysis of macromolecules; complexing sample to acridinium compound, labels for improving sensitivity of immunoassays, 2',6'-dimethyl-4'-N-succinimidyloxycaproyl-amidocarbonylphenyl-N10-2,7-tris[O-methoxyhexa(ethylene) glycol-sulfonamidylpropyl]-acridinium-9-carboxylate SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2011-01-25 US disclosed
US-7611909-B1 Acridinium compound for use in the concurrent detection of target analytes in immunoassays or nucleic acid assays SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2009-11-03 US disclosed
EP-1104405-B1 NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF SIEMENS HEALTHCARE DIAGNOSTICS (US) 2009-02-18 EP disclosed
US-20080305557-A1 Novel Applications of Acridinium Compounds and Derivatives in Homogeneous Assays SIEMENS MEDICAL SOLUTIONS DIAGNOSTICS (US) 2008-12-11 US disclosed
US-20080305557-A1 Novel Applications of Acridinium Compounds and Derivatives in Homogeneous Assays SIEMENS MEDICAL SOLUTIONS DIAGNOSTICS (US) 2008-12-11 US disclosed
US-7459284-B2 Chemiluminescent acridinium compounds and analogues thereof as substrates of hydrolytic enzymes SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2008-12-02 US disclosed
US-7459284-B2 Chemiluminescent acridinium compounds and analogues thereof as substrates of hydrolytic enzymes SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2008-12-02 US disclosed
US-7319041-B2 Applications of acridinium compounds and derivatives in homogeneous assays SIEMENS MEDICAL SOLUTIONS DIAGNOSTIC (US) 2008-01-15 US disclosed
US-7319041-B2 Applications of acridinium compounds and derivatives in homogeneous assays SIEMENS MEDICAL SOLUTIONS DIAGNOSTIC (US) 2008-01-15 US disclosed
US-7083986-B2 Near infrared chemiluminescent acridinium compounds and uses thereof BAYER HEALTHCARE LLC (US) 2006-08-01 US disclosed
US-20020076823-A1 Near infrared chemiluminescent acridinium compounds and uses thereof BAYER CORPORATION (US) 2002-06-20 US disclosed
US-6355803-B1 COMPOUND COMPRISING EXTENDED, COPLANAR, CONJUGATED SYSTEM, FORMED BY ATTACHMENT OF FUNCTIONAL GROUP COMPRISING AROMATIC RING AND ELECTRON-DONATING GROUP ON ACRIDINIUM NUCLEUS, WHICH MAINTAINS COPLANARITY DURING LIGHT EMISSION BAYER CORPORATION 2002-03-12 US disclosed
EP-1104405-A1 NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF Bayer Corporation (US) 2001-06-06 EP disclosed
WO-2000009487-A9 NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF BAYER AG (US) 2000-06-22 WO disclosed
WO-2000009487-A1 NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF BAYER CORPORATION (US) 2000-02-24 WO disclosed