SCHEMBL971172

SCHEMBL971172

C1OCO1.CCN(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ APBA1 Q02410 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ HKDC1 Q2TB90 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
Dioxane SCHEMBL2947014 0.81 TTR (0.43) TSHRMEN1POLBKMT2A
Oxirane SCHEMBL28302535 0.81 TTR (0.33) —
SCHEMBL971171 0.81 TSHR (0.43) TSHR
Dioxane SCHEMBL6069108 0.79 TTR (0.40) TSHRPOLB
SCHEMBL1736341 0.78 ALDH1A1 (0.40) TSHRKDM4EMEN1ALDH1A1POLB
SCHEMBL124190 0.78 — —
SCHEMBL30 0.78 — —
SCHEMBL971173 0.77 — —
Cyclohexane SCHEMBL8471239 0.75 ADH1C (0.32) ALDH1A1KMT2A
Fluoride SCHEMBL2116095 0.74 — —

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
US-20110003277-A1 Dioxetane-Nanoparticle Assemblies For Energy Transfer Detection Systems, Methods Of Making The Assemblies, And Methods Of Using The Assemblies in Bioassays APPLIED BIOSYSTEMS, LLC (US) 2011-01-06 — — US disclosed
EP-1787365-A2 DIOXETANE-NANOPARTICLE ASSEMBLIES FOR ENERGY TRANSFER DETECTION SYSTEMS, METHODS OF MAKING THE ASSEMBLIES, AND METHODS OF USING THE ASSEMBLIES IN BIOASSAYS Applera Corporation (US) 2007-05-23 — — EP disclosed
US-20060216768-A1 Dioxetane-nanoparticle assemblies for energy transfer detection systems, methods of making the assemblies, and methods of using the assemblies in bioassays APPLIED BIOSYSTEMS, LLC 2006-09-28 — — US disclosed
WO-2006029302-A2 DIOXETANE-NANOPARTICLE ASSEMBLIES FOR ENERGY TRANSFER DETECTION SYSTEMS, METHODS OF MAKING THE ASSEMBLIES, AND METHODS OF USING THE ASSEMBLIES IN BIOASSAYS APPLERA CORPORATION (US) 2006-03-16 — — WO disclosed
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