Butadiene

Butadiene

SCHEMBL5666995

C=C(C)C(=O)OCCCc1ccccc1C.C=CC=C

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.42
THRB P10828 2/20 0.40
ALOX5 P09917 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
MAOB P27338 1/20 0.36
THRA P10827 1/20 0.36
NR3C2 P08235 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NOTUM Q6P988 1/20 0.34
LMNA P02545 1/20 0.34
AKR1B10 O60218 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
SCHEMBL27695944 0.90 TSHR (0.49) POLBAPEX1HTTTDP1TSHR
SCHEMBL146236 0.86 THRB (0.46) POLBAPEX1HTTTDP1TSHR
SCHEMBL29603148 0.86 THRB (0.46) POLBAPEX1HTTTDP1TSHR
SCHEMBL27637386 0.80 TSHR (0.54) POLBAPEX1HTTTDP1TSHR
SCHEMBL17430700 0.78 THRB (0.51) POLBAPEX1HTTTDP1TSHR
SCHEMBL15361829 0.78 TSHR (0.44) POLBAPEX1HTTTDP1TSHR
Benzene SCHEMBL641783 0.77 THRB (0.57) POLBAPEX1HTTTDP1TSHR
O-Xylene SCHEMBL23120128 0.77 TSHR (0.49) POLBAPEX1HTTTDP1TSHR
SCHEMBL29315497 0.77 POLB (0.46) POLBAPEX1HTTTDP1TSHR
SCHEMBL3409621 0.76 MAOB (0.50) TSHRTHRBMAOBTHRAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307111-B2 Polymer particles containing a cross-linked polymer core and a linear non-cross-linked polymer shell, and toner formed therefrom XEROX CORPORATION (US) 2007-12-11 US disclosed
US-20060135650-A1 Polymer particles containing a cross-linked polymer core and a linear non-cross-linked polymer shell, and toner formed therefrom XEROX CORPORATION (US) 2006-06-22 US disclosed