SCHEMBL27963545

SCHEMBL27963545

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nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.32
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL16609878 0.85 SLC7A5 (0.41) SLC1A3SLC1A2SLC1A1SLC7A5
SCHEMBL7874498 0.82
SCHEMBL1162236 0.82 TDP1 (0.42)
SCHEMBL5135717 0.82 TDP1 (0.42)
SCHEMBL2521938 0.82 TDP1 (0.42)
SCHEMBL1162237 0.82 TDP1 (0.42)
SCHEMBL11036766 0.82 TDP1 (0.42)
Hydrochloric Acid SCHEMBL31249825 0.80 GRIN2D (0.36) PAX8SLC7A5
Hydrochloric Acid SCHEMBL7952403 0.80 TDP1 (0.41)
Hydrochloric Acid SCHEMBL7952400 0.80 TDP1 (0.41)

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
CN-108135194-A Reduce the lactobacillus fermenti bacterium of the concentration of acetaldehyde 科.汉森有限公司 2018-06-08 CN disclosed
CN-103917651-A Eukaryotic organisms and methods for producing 1,3-butanediol GENOMATICA INC 2014-07-09 CN disclosed