SCHEMBL28570790

SCHEMBL28570790

Cc1cn(OP(=O)(O)OP(=O)(O)O)c(=O)[nH]c1=O.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 4/20 0.44
▸ POLB P06746 2/20 0.40
▸ POLA1 P09884 1/20 0.40
▸ POLD1 P28340 1/20 0.40
▸ TK1 P04183 3/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL3436939 0.98 TYMP (0.45) TYMPPOLBPOLA1POLD1TK1
SCHEMBL3364511 0.96 POLB (0.44) TYMPPOLBPOLA1POLD1TK1
SCHEMBL1452492 0.96 POLB (0.44) TYMPPOLBPOLA1POLD1TK1
SCHEMBL28575356 0.88 TYMP (0.48) TYMPTK1MAPK1
SCHEMBL4342113 0.86 TYMP (0.49) TYMPTK1MAPK1
SCHEMBL446614 0.83 POLA1 (0.35) TYMPPOLBPOLA1POLD1
SCHEMBL447317 0.82 POLB (0.38) TYMPPOLBPOLA1POLD1TK1
SCHEMBL28563636 0.82 POLB (0.38) TYMPPOLBPOLA1POLD1TK1
SCHEMBL20541413 0.80 TYMP (0.40) TYMPPOLBPOLA1POLD1TK1
SCHEMBL6911384 0.78 TYMP (0.44) TYMPTK1MAPK1

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-107737339-B Calcium phosphate-biomolecule composite material and preparation method thereof 中国科学院上海硅酸盐研究所 2021-06-15 — — CN disclosed
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