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Sugi Predict / Compounds / SCHEMBL161584

SCHEMBL161584

SCHEMBL161584

Cc1cn([C@@H]2O[C@H](C(CN(CCC(=O)O)CCC(=O)O)OCN(CCC(=O)O)CCC(=O)O)CC2OP(N)(=O)O)c(=O)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 5/20 0.38
▸ TK1 P04183 3/20 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
SCHEMBL162733 0.91 TYMP (0.39) TYMPTK1
SCHEMBL109312 0.85 TYMP (0.41) TYMPTK1
SCHEMBL110573 0.82 TYMP (0.40) TYMPTK1
SCHEMBL2695701 0.80 TYMP (0.38) TYMPTK1
SCHEMBL112794 0.79 TYMP (0.42) TYMPTK1
SCHEMBL160306 0.74 TYMP (0.40) TYMPTK1
SCHEMBL155947 0.71 RNASE1 (0.38) TYMPTK1
Phosphoramidic Acid SCHEMBL110890 0.70 TYMP (0.41) TYMP
SCHEMBL12537887 0.69 TK1 (0.46) TYMPTK1
Phosphoramidic Acid SCHEMBL110757 0.67 TK1 (0.48) TK1

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
WO-2012028925-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF TELMISARTAN OGENE SYSTEMS (I) PVT LTD (IN) 2012-03-08 — — WO disclosed