Ethane

Ethane

SCHEMBL27571069

C=C(CC)C(=O)OO.CC

nearest known ligand 0.32

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.32
TSHR P16473 4/20 0.32
TDP1 Q9NUW8 3/20 0.32
HSD17B10 Q99714 1/20 0.32
FFAR3 O14843 1/20 0.32
THRB P10828 1/20 0.31
SOAT1 P35610 1/20 0.31

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
SCHEMBL180796 0.97
Ethylene SCHEMBL5954134 0.95 ALDH1A1 (0.32) ALDH1A1TSHRTDP1HSD17B10FFAR3
Methane SCHEMBL28161018 0.95
Phosphoric Acid SCHEMBL10595608 0.88 LAP3 (0.30)
Methacrylic Acid SCHEMBL906372 0.86 ALDH1A1 (0.36) ALDH1A1TSHRTDP1HSD17B10FFAR3
SCHEMBL5709260 0.86 ALDH1A1 (0.41) ALDH1A1TSHRFFAR3
SCHEMBL28046858 0.86 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL8885527 0.83 ALDH1A1 (0.35) ALDH1A1TSHRTDP1HSD17B10FFAR3
SCHEMBL7523968 0.83 ALDH1A1 (0.60) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL1923846 0.80 ALDH1A1 (0.37) ALDH1A1TSHRTDP1HSD17B10FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1446120-A Novel microcapsules SYNGENTA LTD (GB) 2003-10-01 CN disclosed