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Doxribtimine

Doxribtimine

SCHEMBL6563162

CCCCCC(=O)O.COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

P

The experimentally established mechanism targets of Doxribtimine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TK2 O00142 2/20 0.51
▸ TYMS P04818 1/20 0.48
▸ RNASE1 P07998 1/20 0.48
▸ TK1 P04183 1/20 0.45
▸ BCHE P06276 1/20 0.45

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
Hexanoate SCHEMBL6563169 0.97 TYMS (0.49) TK2TYMSTK1BCHE
SCHEMBL7535874 0.89 TYMS (0.56) TYMSTK1
SCHEMBL14064188 0.89 TYMS (0.56) TYMSTK1
SCHEMBL2460809 0.89 TYMS (0.56) TYMSTK1
SCHEMBL22983972 0.89 TYMS (0.56) TYMSTK1
SCHEMBL22983968 0.89 TYMS (0.56) TYMSTK1
SCHEMBL22984023 0.89 TYMS (0.56) TYMSTK1
SCHEMBL23517951 0.89 TYMS (0.56) TYMSTK1
SCHEMBL1775528 0.89 TYMS (0.56) TYMSTK1
SCHEMBL2460807 0.89 TYMS (0.56) TYMSTK1

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
EP-1258489-B1 Method for purifying 5'-protected thymidines MITSUI CHEMICALS INC (JP) 2004-09-08 — — EP disclosed
EP-1258489-A1 Method for purifying 5'-protected thymidines Mitsui Chemicals, Inc. (JP) 2002-11-20 — — EP disclosed