Methane

Methane

SCHEMBL9716111

C.Oc1cc(Br)c(O)c(Br)c1.Oc1cc(Br)c(O)c(Br)c1

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.61
TSHR P16473 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
ALOX5 P09917 1/20 0.54
PTGS2 P35354 1/20 0.54
TTR P02766 2/20 0.48
ALOX15 P16050 2/20 0.48
ALOX12 P18054 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ALB P02768 1/20 0.48
HPGD P15428 1/20 0.48
CASP1 P29466 1/20 0.48
RECQL P46063 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48

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
SCHEMBL69980 0.97 CYP3A4 (0.65) CYP3A4TSHRTDP1ALOX5PTGS2
Propane SCHEMBL6575912 0.85 ALOX5 (0.54) CYP3A4TSHRTDP1ALOX5PTGS2
SCHEMBL12804864 0.81 ALOX5 (0.50) CYP3A4TSHRTDP1ALOX5PTGS2
SCHEMBL17659001 0.77 ALOX5 (0.52) CYP3A4TSHRTDP1ALOX5PTGS2
SCHEMBL13479148 0.77 ALOX5 (0.46) CYP3A4TSHRTDP1ALOX5PTGS2
SCHEMBL592990 0.76 APEX1 (0.53) CYP3A4TSHRTDP1ALOX5PTGS2
SCHEMBL581997 0.76 CRHBP (0.70) CYP3A4TSHRTDP1ALOX5PTGS2
SCHEMBL18224 0.76 CYP3A4 (1.00) CYP3A4TSHRTDP1TTRALOX15
SCHEMBL6544882 0.76 BACE1 (0.47) CYP3A4TSHRTDP1ALOX5PTGS2
Methane SCHEMBL21814228 0.75 CYP3A4 (0.55) CYP3A4TSHRTDP1ALOX5PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508553-A2 Stabilized aromatic polyester compositions CELANESE CORPORATION (US) 1992-10-14 EP disclosed
EP-0508554-A2 Stabilized aromatic polyester compositions CELANESE CORPORATION (US) 1992-10-14 EP disclosed
EP-0265275-A2 High impact polyarylate compositions HOECHST CELANESE CORPORATION (US) 1988-04-27 EP disclosed
EP-0234915-A2 Stabilized aromatic polyester compositions CELANESE CORPORATION (US) 1987-09-02 EP disclosed
EP-0234913-A2 In-situ end-capping melt prepared aromatic polyesters to produce polymers with improved stability CELANESE CORPORATION (US) 1987-09-02 EP disclosed
US-4390682-A BISPHENOL, TEREPHTHALIC ACID, ISOPHTHALIC ACID UNITIKA LTD. (JP) 1983-06-28 US disclosed