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Aceneuramic Acid

Aceneuramic Acid

SCHEMBL1802678

CC(=O)N[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](O)CC(=O)C(=O)O.Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]3[C@H]2O)c(=O)[nH]1

nearest known ligand 0.65

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 19/20 0.65
▸ PDE3B Q13370 1/20 0.65
▸ PDE3A Q14432 1/20 0.65

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
Demannose SCHEMBL5319535 0.84 STING1 (0.76) STING1PDE3BPDE3A
SCHEMBL12634565 0.81 STING1 (1.00) STING1PDE3BPDE3A
SCHEMBL18737202 0.81 STING1 (1.00) STING1PDE3BPDE3A
SCHEMBL14980248 0.81 STING1 (1.00) STING1PDE3BPDE3A
SCHEMBL738 0.81 STING1 (1.00) STING1PDE3BPDE3A
SCHEMBL24467522 0.81 STING1 (1.00) STING1PDE3BPDE3A
SCHEMBL12634582 0.81 STING1 (1.00) STING1PDE3BPDE3A
SCHEMBL21498373 0.81 STING1 (1.00) STING1PDE3BPDE3A
SCHEMBL21470181 0.81 STING1 (1.00) STING1PDE3BPDE3A
SCHEMBL17325408 0.81 STING1 (1.00) STING1PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101076260-A Compositions and methods of formulation for enteral formulas containing sialic acid BRISTOL MYERS SQUIBB CO (US) 2007-11-21 — — CN claimed
CN-101076260-B Compositions of formulation for enteral formulas containing sialic acid MEAD JOHNSON NUTRITION CO. (US) 2011-12-28 — — CN disclosed
US-7951410-B2 Nutritionally complete infant formula; supporting growth and development MEAD JOHNSON NUTRITION COMPANY (US) 2011-05-31 — — US disclosed
CN-101076260-A Compositions and methods of formulation for enteral formulas containing sialic acid BRISTOL MYERS SQUIBB CO (US) 2007-11-21 — — CN disclosed
EP-1811868-A2 COMPOSITIONS AND METHODS OF FORMULATION FOR ENTERAL FORMULAS CONTAINING SIALIC ACID Bristol-Myers Squibb Company (US) 2007-08-01 — — EP disclosed
WO-2006044188-A1 COMPOSITIONS AND METHODS OF FORMULATION FOR ENTERAL FORMULAS CONTAINING SIALIC ACID BRISTOL MYERS SQUIBB COMPANY (US) 2006-04-27 — — WO disclosed
US-20050096295-A1 Compositions and methods of formulation for enteral formulas containing sialic acid BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-05 — — US disclosed