SCHEMBL27355175

SCHEMBL27355175

Cc1cn([C@]2(S(C)(=O)=O)O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ALB P02768 1/20 0.39
POLB P06746 1/20 0.39
ADRA1A P35348 1/20 0.39
BLM P54132 1/20 0.39
TYMP P19971 1/20 0.38
TK2 O00142 2/20 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
SCHEMBL7256295 0.90 TK1 (0.39) TK1ALDH1A1LMNAALBPOLB
SCHEMBL14785922 0.85 PYGM (0.35) LMNATYMPTK2
SCHEMBL3079827 0.84 PYGM (0.34) TK1LMNATK2
SCHEMBL3079836 0.83 TK2 (0.52) TK1BLMTK2
SCHEMBL8904559 0.81 TK1 (0.43) TK1ALDH1A1LMNAALBPOLB
SCHEMBL1825757 0.81 TK1 (0.43) TK1ALDH1A1LMNAALBPOLB
SCHEMBL12658380 0.81 TK1 (0.43) TK1ALDH1A1LMNAALBPOLB
SCHEMBL8930585 0.80 SLC28A1 (0.45)
SCHEMBL16042097 0.80 TK1 (0.42) TK1ALDH1A1LMNAALBPOLB
SCHEMBL29041599 0.80 TK1 (0.42) TK1ALDH1A1LMNAALBPOLB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1059213-C Preparation of d4T from 5-methyluridine BRISTOL MYERS SQUIBB CO (US) 2000-12-06 CN claimed
CN-1147519-A Preparation of d4T from 5-methyluridine BRISTOL MYERS SQUIBB CO (US) 1997-04-16 CN claimed
CN-1195770-C Preparation of d4T from 5-methyl uridine BRISTOL MYERS SQIBB CO (US) 2005-04-06 CN disclosed
CN-1059213-C Preparation of d4T from 5-methyluridine BRISTOL MYERS SQUIBB CO (US) 2000-12-06 CN disclosed
CN-1270172-A Preparation of d4T from 5-methyl uridine BRISTOL MYERS SQIBB CO (US) 2000-10-18 CN disclosed
CN-1055477-C Intermediate compound for synthesizing nucleoside derivative BRISTOL MYERS SQUIBB CO (US) 2000-08-16 CN disclosed
CN-1040115-C Large scale production of 2 ', 3 ' -didehydro-3 ' -deoxythymidine (d4T) using 5-methyluridine BRISTOL MYERS SQUIBB CO (US) 1998-10-07 CN disclosed
CN-1193021-A Intermediate compound for synthesizing nucleoside derivative BRISTOL MYERS SQIBB CO (US) 1998-09-16 CN disclosed
CN-1147519-A Preparation of d4T from 5-methyluridine BRISTOL MYERS SQUIBB CO (US) 1997-04-16 CN disclosed
CN-1112123-A Large scale production of 2 ', 3 ' -didehydro-3 ' -deoxythymidine (d4T) using 5-methyluridine BRISTOL MYERS SQUIBB CO (US) 1995-11-22 CN disclosed