SCHEMBL20180458

SCHEMBL20180458

CCOC(=O)[C@H](C)CCO[P@@]1(=O)OCC2O[C@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2O1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.58
▸ TK1 P04183 3/20 0.46
▸ BCHE P06276 1/20 0.42
▸ RNASE1 P07998 1/20 0.41
▸ TK2 O00142 1/20 0.41

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
SCHEMBL20180389 1.00 DHFR (0.58) DHFRTK1BCHERNASE1TK2
SCHEMBL20180386 1.00 DHFR (0.58) DHFRTK1BCHERNASE1TK2
SCHEMBL20180392 1.00 DHFR (0.58) DHFRTK1BCHERNASE1TK2
SCHEMBL20180391 1.00 DHFR (0.58) DHFRTK1BCHERNASE1TK2
SCHEMBL20180384 1.00 DHFR (0.58) DHFRTK1BCHERNASE1TK2
SCHEMBL20180462 1.00 DHFR (0.58) DHFRTK1BCHERNASE1TK2
SCHEMBL20180461 1.00 DHFR (0.58) DHFRTK1BCHERNASE1TK2
SCHEMBL20180532 1.00 DHFR (0.58) DHFRTK1BCHERNASE1TK2
SCHEMBL26019454 0.92 DHFR (0.57) DHFRTK1BCHERNASE1
SCHEMBL22589436 0.82 DHFR (0.61) DHFRTK1BCHETK2

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-2018091542-A1 CYCLIC PHOSPHATE SUBSTITUTED NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF LIVER DISEASES IDENIX PHARMACEUTICALS LLC (US) 2018-05-24 — — WO disclosed
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