SCHEMBL25512666

SCHEMBL25512666

CC(C)OP(=O)(O)OCC1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1OP(=O)(O)OC[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 2/20 0.54
▸ POLB P06746 2/20 0.49
▸ FUT5 Q11128 1/20 0.47
▸ DTYMK P23919 4/20 0.47
▸ P2RY2 P41231 1/20 0.46
▸ P2RY4 P51582 1/20 0.46
▸ P2RY6 Q15077 1/20 0.46
▸ F2 P00734 1/20 0.44

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
SCHEMBL20324868 0.93 TERT (0.53) TERTPOLBFUT5P2RY2P2RY4
SCHEMBL21540009 0.93 TERT (0.53) TERTPOLBFUT5P2RY2P2RY4
SCHEMBL20782764 0.93 TERT (0.53) TERTPOLBFUT5P2RY2P2RY4
SCHEMBL20325223 0.93 TERT (0.53) TERTPOLBFUT5P2RY2P2RY4
SCHEMBL18822882 0.93 TERT (0.52) TERTPOLBFUT5DTYMKP2RY2
SCHEMBL26570660 0.92 TERT (0.52) TERTPOLBFUT5DTYMKP2RY2
SCHEMBL20782763 0.88 POLB (0.58) TERTPOLBFUT5P2RY2P2RY4
SCHEMBL22765983 0.88 TERT (0.48) TERTPOLBFUT5P2RY2P2RY4
SCHEMBL22765945 0.88 TERT (0.48) TERTPOLBFUT5P2RY2P2RY4
SCHEMBL20325274 0.87 POLB (0.50) TERTPOLBFUT5P2RY2P2RY4

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-2023083906-A2 PHARMACEUTICAL COMBINATIONS FOR TREATMENT OF HBV F. HOFFMANN-LA ROCHE AG (CH) 2023-05-19 — — WO disclosed
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