SCHEMBL8102055

SCHEMBL8102055

C1COC(CC(C2=NCCO2)C2=NCCO2)=N1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
KCNN4 O15554 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
SCHEMBL6577696 0.83 ADRA2A (0.30) ADRA2AADRA2BADRA2C
SCHEMBL8100084 0.80 ADRA2A (0.32) ADRA2AADRA2BADRA2C
SCHEMBL1299225 0.80 ADRA2A (0.35) ADRA2AADRA2BADRA2C
SCHEMBL6576319 0.77 ADRA2A (0.31) ADRA2AADRA2BADRA2C
SCHEMBL6902040 0.76
SCHEMBL10537828 0.76 ADRA2A (0.30) ADRA2AADRA2BADRA2C
SCHEMBL10538294 0.74
SCHEMBL377286 0.74 ADRA2A (0.38) ADRA2AADRA2BADRA2CKCNN4
SCHEMBL11211931 0.74
SCHEMBL6552363 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096818-A COMPOSITION COMPRISING THERMOPLASTIC POLYESTER, BROMINE-CONTAINING FLAME RETARDANT, ANTIMONY COMPOUND, CONDUCTIVE CARBON BLACK PARTICLES KANEKA CORPORATION (JP) 2000-08-01 US disclosed
EP-0866097-A1 FLAME-RETARDANT, ANTISTATIC POLYESTER RESIN COMPOSITION KANEKA CORPORATION (JP) 1998-09-23 EP disclosed
US-4806588-A BLEND OF PET, POLYETHERS, BLOCK POLYMERS, IONOMERS, OXAZOLINE COMPOUNDS, POLYESTER ELASTOMERS, GLASS FIBERS TOYO BOSEKI KABUSHIKI KAISHA (JP) 1989-02-21 US disclosed