SCHEMBL9751333

SCHEMBL9751333

CC(Oc1ccccc1CCCCCCCCC(Br)Br)Oc1ccccc1CCCCCCCCC(Br)Br

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.42
ADRB1 P08588 6/20 0.42
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
AOC3 Q16853 1/20 0.34
MGLL Q99685 1/20 0.33
TRAP1 Q12931 1/20 0.33

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
SCHEMBL9440765 0.88 ADRB2 (0.35) ADRB2ADRB1THRATHRB
SCHEMBL2878774 0.79 LIPG (0.38) ADRB2ADRB1MGLLTRAP1
SCHEMBL2876410 0.79 LIPG (0.38) ADRB2ADRB1MGLLTRAP1
SCHEMBL2878200 0.79 LIPG (0.38) ADRB2ADRB1MGLLTRAP1
SCHEMBL2876025 0.77 LIPG (0.35) TAAR1MGLL
SCHEMBL7650228 0.75 THRA (0.49) ADRB2ADRB1THRATHRBHTR1A
SCHEMBL9751335 0.75 PTGS2 (0.32)
SCHEMBL10523280 0.75 THRA (0.49) ADRB2ADRB1THRATHRB
SCHEMBL27525281 0.74 THRA (0.48) ADRB2ADRB1THRATHRBHTR1A
SCHEMBL5704525 0.73 ADRB2 (0.46) ADRB2ADRB1THRATHRBTAAR1

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
EP-0388445-A4 FLAME RETARDANT HIGHER ALKYL BISPHENOXY ALKANES AND THEIR APPLICATION TO ABS POLYMER SYSTEMS 1991-07-03 EP disclosed
EP-0388445-A1 FLAME RETARDANT HIGHER ALKYL BISPHENOXY ALKANES AND THEIR APPLICATION TO ABS POLYMER SYSTEMS GREAT LAKES CHEMICAL CORPORATION (US) 1990-09-26 EP disclosed
WO-1990000165-A1 FLAME RETARDANT HIGHER ALKYL BISPHENOXY ALKANES AND THEIR APPLICATION TO ABS POLYMER SYSTEMS GREAT LAKES CHEMICAL CORPORATION (US) 1990-01-11 WO disclosed