Tenofovir Diphosphate

Tenofovir Diphosphate

SCHEMBL24809661

C[C@@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.77

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 16/20 0.77
CYP2D6 P10635 15/20 0.68

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
Tenofovir Diphosphate SCHEMBL14354588 1.00 CYP3A4 (0.77) CYP3A4CYP2D6
Tenofovir Diphosphate SCHEMBL29395812 1.00 CYP3A4 (0.77) CYP3A4CYP2D6
Tenofovir Diphosphate SCHEMBL29466912 1.00 CYP3A4 (0.77) CYP3A4CYP2D6
SCHEMBL14440381 0.96 CYP3A4 (0.80) CYP3A4CYP2D6
SCHEMBL24809662 0.96 CYP3A4 (0.80) CYP3A4CYP2D6
SCHEMBL19600198 0.94 CYP3A4 (0.77) CYP3A4CYP2D6
SCHEMBL20313254 0.92 CYP3A4 (0.74) CYP3A4CYP2D6
SCHEMBL13394187 0.91 CYP3A4 (0.75) CYP3A4CYP2D6
SCHEMBL20321881 0.90 CYP3A4 (0.71) CYP3A4CYP2D6
Tenofovir Anhydrous SCHEMBL400717 0.89 CYP3A4 (0.91) CYP3A4CYP2D6

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-2022271880-A1 METHODS OF TREATING MEDICAL CONDITIONS AND INHIBITING LINE1 REVERSE TRANSCRIPTASE USING A SUBSTITUTED ADENINYL-PROPYLOXY PHOSPHONIC ACID OR RELATED COMPOUND ROME THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed