SCHEMBL28129115

Cc1cn([C@]2(F)O[C@H](CO)[C@@H](O)C2(F)F)c(=O)[nH]c1=O.Cc1cn([C@]2(F)O[C@H](CO)[C@@H](O)C2(F)F)c(=O)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TK1	P04183	5/20	0.43

▸	ALB	P02768	2/20	0.42

▸	ALDH1A1	P00352	1/20	0.42

▸	LMNA	P02545	1/20	0.42

▸	POLB	P06746	1/20	0.42

▸	ADRA1A	P35348	1/20	0.42

▸	BLM	P54132	1/20	0.42

▸	TYMP	P19971	2/20	0.40

▸	PKM	P14618	1/20	0.39

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.

Compound	similarity	top predicted	shared targets
SCHEMBL3477	1.00	TK1 (0.43)	TK1ALBALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL28100272	0.99	TK1 (0.42)	TK1ALBALDH1A1LMNAPOLB
Phosphoric Acid SCHEMBL9392093	0.95	TYMP (0.43)	TK1ALBALDH1A1LMNAPOLB
SCHEMBL28839372	0.95	TK1 (0.40)	TK1ALBALDH1A1LMNAPOLB
Phosphoric Acid SCHEMBL3092301	0.95	TYMP (0.43)	TK1ALBALDH1A1LMNAPOLB
Stavudine SCHEMBL1674560	0.87	ALDH1A1 (0.67)	TK1ALBALDH1A1LMNAPOLB
SCHEMBL9443814	0.86	TK1 (0.35)	TK1ALBALDH1A1LMNAPOLB
SCHEMBL3092317	0.83	TK1 (0.52)	TK1POLB
Idoxuridine SCHEMBL846579	0.82	TK1 (0.67)	TK1LMNAADRA1ABLM
Idoxuridine SCHEMBL846580	0.82	TK1 (0.67)	TK1LMNAADRA1ABLM

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-106551946-A	It is a kind of containing trifluorothymidine and hydrochloric acid for the pharmaceutical composition and preparation method than pyrimidine	江苏奥赛康药业股份有限公司	2017-04-05	—	—	CN	disclosed