SCHEMBL28394178

SCHEMBL28394178

CCOOP(=O)(COC(C)Cn1cnc2c(N)ncnc21)OOCC

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 15/20 0.71
FAP Q12884 2/20 0.63
CYP2D6 P10635 14/20 0.61

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
SCHEMBL29389535 1.00 CYP3A4 (0.71) CYP3A4FAPCYP2D6
SCHEMBL24809663 0.89 CYP3A4 (0.74) CYP3A4FAPCYP2D6
SCHEMBL1393451 0.89 CYP3A4 (0.74) CYP3A4FAPCYP2D6
SCHEMBL1393452 0.89 CYP3A4 (0.74) CYP3A4FAPCYP2D6
SCHEMBL15070860 0.87 CYP3A4 (0.77) CYP3A4FAPCYP2D6
SCHEMBL13983477 0.86 CYP3A4 (0.76) CYP3A4FAPCYP2D6
SCHEMBL7267656 0.86 CYP3A4 (0.76) CYP3A4FAPCYP2D6
SCHEMBL7268779 0.86 CYP3A4 (0.76) CYP3A4FAPCYP2D6
SCHEMBL16638756 0.86 CYP3A4 (0.76) CYP3A4FAPCYP2D6
SCHEMBL28378681 0.84 CYP3A4 (0.77) CYP3A4FAPCYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114409706-B Preparation method of phenyl hydrogen phosphonate and intermediate thereof 上海医药工业研究院 2023-11-28 CN disclosed
CN-115677774-A Phosphonate derivatives, their preparation and use 上海医药工业研究院有限公司 2023-02-03 CN disclosed
CN-114409706-A Preparation method of phenyl hydrogen phosphonate and intermediate thereof 上海医药工业研究院 2022-04-29 CN disclosed
CN-112175003-B Preparation method of phenyl hydrogen phosphonate and intermediate thereof 上海医药工业研究院 2022-02-15 CN disclosed
CN-112175003-A Preparation method of phenyl hydrogen phosphonate and intermediate thereof 上海医药工业研究院 2021-01-05 CN disclosed
CN-108586532-B Preparation method of tenofovir disoproxil fumarate 科兴生物制药股份有限公司 2020-05-08 CN disclosed