SCHEMBL9952548

SCHEMBL9952548

C[C@H](OP(=O)(O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
LAP3 P28838 2/20 0.37
TP53 P04637 1/20 0.36
PGD P52209 1/20 0.35
SMPD1 P17405 3/20 0.34
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL19281218 1.00 PGK1 (0.38) PGK1PGK2LAP3TP53PGD
SCHEMBL1840428 1.00 PGK1 (0.38) PGK1PGK2LAP3TP53PGD
SCHEMBL27241907 0.97 PGK1 (0.37) PGK1PGK2LAP3TP53PGD
SCHEMBL26913628 0.97 PGK1 (0.37) PGK1PGK2LAP3TP53PGD
SCHEMBL23931184 0.95 PGK1 (0.35) PGK1PGK2LAP3TP53PGD
SCHEMBL183389 0.79 SMPD1 (0.34) PGK1PGK2SMPD1TDP1
SCHEMBL8416620 0.78 PEPD (0.43) PGK1PGK2LAP3SMPD1KDM4E
SCHEMBL11522192 0.77 CA4 (0.40) LAP3PGDSMPD1TDP1
Ammonia Solution, Strong SCHEMBL28328876 0.77 SMPD1 (0.33) PGK1PGK2SMPD1TDP1
SCHEMBL12257190 0.77 LAP3 (0.44) LAP3

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-107075588-B Methods and systems for microbiome-derived diagnosis and treatment 普梭梅根公司 2023-03-21 CN claimed
EP-2872514-B1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-30 EP claimed
CN-107075588-B Methods and systems for microbiome-derived diagnosis and treatment 普梭梅根公司 2023-03-21 CN disclosed
US-20150353961-A1 Designer Photoautotrophic and Hydrogenotrophic Production of Alcohols and Biodiesel LEE JAMES WEIFU (US) 2015-12-10 US disclosed
US-20130344553-A1 Designer Calvin-Cycle-Channeled and Hydrogenotrophic Production of Butanol and Related Higher Alcohols LEE JAMES WEIFU (US) 2013-12-26 US disclosed
EP-2655599-A2 DESIGNER CALVIN-CYCLE-CHANNELED AND HYDROGENOTROPHIC PRODUCTION OF BUTANOL AND RELATED HIGHER ALCOHOLS Lee, James Weifu (US) 2013-10-30 EP disclosed
WO-2012088071-A2 DESIGNER CALVIN-CYCLE-CHANNELED AND HYDROGENOTROPHIC PRODUCTION OF BUTANOL AND RELATED HIGHER ALCOHOLS LEE JAMES WEIFU (US) 2012-06-28 WO disclosed