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SCHEMBL6861554

SCHEMBL6861554

COc1ccc(C(OC[C@@]2(OP(OCCC#N)N(C(C)C)C(C)C)O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@@H]3OCCC32)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TK2 O00142 14/20 0.33
▸ TK1 P04183 4/20 0.33

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
SCHEMBL26869 0.85 TK2 (0.33) TK2TK1
SCHEMBL24187620 0.85 TK2 (0.33) TK2TK1
SCHEMBL5557385 0.84 TK2 (0.34) TK2TK1
SCHEMBL2768845 0.84 TK2 (0.34) TK2TK1
SCHEMBL7067321 0.84 TK2 (0.34) TK2TK1
SCHEMBL1099028 0.84 TK2 (0.34) TK2TK1
SCHEMBL5861676 0.84 TK2 (0.34) TK2TK1
SCHEMBL3842695 0.83 TK2 (0.33) TK2TK1
SCHEMBL15267270 0.82 TK2 (0.35) TK2TK1
SCHEMBL11985189 0.82 TK2 (0.35) TK2TK1

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
US-6794499-B2 BICYCLIC LOCKED NUCLEOSIDE ANALOGUES EXIQON A/S (DK) 2004-09-21 — — US disclosed