SCHEMBL21163946

SCHEMBL21163946

CC1=CN([C@H]2CC(O)[C@@H](COS(C)(=O)=O)O2)C(O)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ ATG7 O95352 9/20 0.36

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
SCHEMBL16450527 0.84 TK1 (0.34) TYMSPOLB
SCHEMBL21414072 0.83 TK1 (0.44) —
SCHEMBL25514132 0.83 TK1 (0.44) —
SCHEMBL25513903 0.79 ALDH1A1 (0.41) TYMSPOLB
SCHEMBL24730191 0.78 POLB (0.49) TYMSPOLB
SCHEMBL25141915 0.76 TYMP (0.36) TYMS
SCHEMBL25757703 0.75 TYMS (0.36) TYMSPOLB
SCHEMBL21163947 0.74 POLB (0.63) TYMSPOLB
SCHEMBL20109714 0.74 POLB (0.63) TYMSPOLB
SCHEMBL20115166 0.74 POLB (0.63) TYMSPOLB

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
EP-3298023-B1 NUCLEOSIDE-LIPID COMPOUNDS WITH PH-SENSITIVE DIALKYLORTHOESTER CHAINS AND THEIR USE FOR TRANSPORTATION OR VECTORIZATION OF AT LEAST ONE THERAPEUTIC AGENT UNIV BORDEAUX (FR) 2019-07-10 — — EP disclosed
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