SCHEMBL28314369

SCHEMBL28314369

CCCCCCCC(C(=O)O)(C(=O)O)c1ccccc1.[MgH2]

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.44
▸ CES2 O00748 2/20 0.44
▸ CES1 P23141 2/20 0.44
▸ SCN5A Q14524 3/20 0.43
▸ SCN9A Q15858 3/20 0.43
▸ NAAA Q02083 1/20 0.42
▸ KIF11 P52732 1/20 0.41
▸ EGFR P00533 1/20 0.41

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
SCHEMBL28315733 1.00 GAA (0.44) GAACES2CES1SCN5ASCN9A
SCHEMBL28315620 1.00 GAA (0.44) GAACES2CES1SCN5ASCN9A
SCHEMBL28315811 1.00 GAA (0.44) GAACES2CES1SCN5ASCN9A
SCHEMBL28315822 1.00 GAA (0.44) GAACES2CES1SCN5ASCN9A
SCHEMBL28315934 1.00 GAA (0.44) GAACES2CES1SCN5ASCN9A
SCHEMBL28314646 1.00 GAA (0.44) GAACES2CES1SCN5ASCN9A
SCHEMBL29211128 0.98 GAA (0.45) GAACES2CES1SCN5ASCN9A
SCHEMBL28727539 0.98 GAA (0.45) GAACES2CES1SCN5ASCN9A
SCHEMBL11294880 0.98 GAA (0.45) GAACES2CES1SCN5ASCN9A
SCHEMBL29211138 0.98 GAA (0.45) GAACES2CES1SCN5ASCN9A

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-110172019-A The metal salt of malonic acid as the nucleating additive for crystalline thermoplastic 印度石油有限公司 2019-08-27 — — CN claimed
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