SCHEMBL28796728

SCHEMBL28796728

N[C@@H](CCC(=O)OC(=O)C(O)C(O)C(=O)O)C(=O)OC(=O)C(O)C(O)C(=O)O.[Zr].[Zr]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 2/20 0.38
▸ GRM8 O00222 1/20 0.38
▸ GRM6 O15303 1/20 0.38
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GSR P00390 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GRIK1 P39086 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ GRIA1 P42261 1/20 0.38
▸ GRIA2 P42262 1/20 0.38
▸ GRIA3 P42263 1/20 0.38
▸ SLC1A3 P43003 1/20 0.38
▸ SLC1A2 P43004 1/20 0.38
▸ GRIA4 P48058 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIK2 Q13002 1/20 0.38
▸ GRIK3 Q13003 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38

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
SCHEMBL8500171 0.87 SLC1A1 (0.52) SLC1A1GRM8GRM6GRIN2DGRIN3B
SCHEMBL12613963 0.84 SLC1A1 (0.52) SLC1A1GRM8GRM6GRIN2DGRIN3B
SCHEMBL931954 0.82 SLC1A1 (0.54) SLC1A1GRM8GRM6GRIN2DGRIN3B
SCHEMBL1674762 0.82 SLC1A1 (0.54) SLC1A1GRM8GRM6GRIN2DGRIN3B
SCHEMBL3430330 0.82 SLC1A1 (0.54) SLC1A1GRM8GRM6GRIN2DGRIN3B
SCHEMBL3918242 0.82 SLC1A1 (0.54) SLC1A1GRM8GRM6GRIN2DGRIN3B
SCHEMBL2994699 0.82 SLC1A1 (0.54) SLC1A1GRM8GRM6GRIN2DGRIN3B
SCHEMBL6267781 0.82 SLC1A1 (0.54) SLC1A1GRM8GRM6GRIN2DGRIN3B
SCHEMBL7717181 0.82 SLC1A1 (0.54) SLC1A1GRM8GRM6GRIN2DGRIN3B
SCHEMBL94759 0.81 TSHR (0.48) TSHR

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-114790386-A High-temperature-resistant calcium chloride weighted polymer fracturing fluid base fluid, cross-linked gel and application thereof 中国石油天然气股份有限公司 2022-07-26 — — CN claimed
CN-114790386-A High-temperature-resistant calcium chloride weighted polymer fracturing fluid base fluid, cross-linked gel and application thereof 中国石油天然气股份有限公司 2022-07-26 — — CN disclosed
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