SCHEMBL29057791

SCHEMBL29057791

NC(=O)OP(=O)(O)OC(=O)C[C@H](N)C(=O)OP(=O)(O)OC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CA4 P22748 3/20 0.39
▸ CA1 P00915 2/20 0.33
▸ CA5A P35218 2/20 0.33
▸ CA5B Q9Y2D0 2/20 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
SCHEMBL28664668 0.86 CA4 (0.39) CA4CA1CA5ACA5B
SCHEMBL771737 0.77 CA4 (0.39) CA4
SCHEMBL9807834 0.77 CA4 (0.39) CA4
SCHEMBL1890691 0.76 CYP2D6 (0.31) —
SCHEMBL6242978 0.73 CA4 (0.67) CA4CA1CA5ACA5B
Ammonia Solution, Strong SCHEMBL5160255 0.71 CA4 (0.63) CA4CA1CA5ACA5B
SCHEMBL28355439 0.69 CA4 (0.44) CA4
SCHEMBL21410682 0.69 CA4 (0.35) CA4CA1CA5ACA5B
SCHEMBL11853143 0.68 CA4 (0.43) CA4
SCHEMBL5607331 0.67 CYP2D6 (0.33) —

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-113755416-B Recombinant microorganism having novel synthetic pathway for producing beta-thymidine and method for producing beta-thymidine 苏州华赛生物工程技术有限公司 2023-08-15 — — CN disclosed
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