SCHEMBL28575356

SCHEMBL28575356

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

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 4/20 0.48
▸ MAPK1 P28482 1/20 0.41
▸ TK1 P04183 3/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL4342113 0.98 TYMP (0.49) TYMPMAPK1TK1HPGD
SCHEMBL28570790 0.88 TYMP (0.44) TYMPMAPK1TK1
SCHEMBL6911384 0.87 TYMP (0.44) TYMPMAPK1TK1HPGD
SCHEMBL3436939 0.86 TYMP (0.45) TYMPMAPK1TK1
SCHEMBL3364511 0.83 POLB (0.44) TYMPMAPK1TK1
SCHEMBL1452492 0.83 POLB (0.44) TYMPMAPK1TK1
SCHEMBL20473363 0.78 KDM4E (0.41) TYMP
SCHEMBL20541413 0.73 TYMP (0.40) TYMPMAPK1TK1
SCHEMBL3025206 0.73 MAPK1 (0.46) TYMPMAPK1TK1HPGD
SCHEMBL2635616 0.72 MAPK1 (0.42) TYMPMAPK1TK1HPGD

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
Send feedback