SCHEMBL6901990

SCHEMBL6901990

C[C@@H](Cn1nnc2c(=O)[nH]c(N)nc21)OCP(=O)(O)O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 11/20 0.59
PNP P00491 6/20 0.57
TYMP P19971 1/20 0.44
CYP3A4 P08684 1/20 0.43

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
SCHEMBL6901396 1.00 HPRT1 (0.59) HPRT1PNPTYMPCYP3A4
SCHEMBL6901392 1.00 HPRT1 (0.59) HPRT1PNPTYMPCYP3A4
SCHEMBL6903599 0.82 HPRT1 (0.59) HPRT1PNPTYMPCYP3A4
SCHEMBL6903597 0.82 HPRT1 (0.59) HPRT1PNPTYMPCYP3A4
SCHEMBL6896277 0.81 CYP3A4 (0.47) HPRT1PNPTYMPCYP3A4
SCHEMBL4713142 0.79 HPRT1 (0.70) HPRT1PNPCYP3A4
SCHEMBL4715034 0.79 HPRT1 (0.70) HPRT1PNPCYP3A4
SCHEMBL172846 0.79 HPRT1 (0.70) HPRT1PNPCYP3A4
SCHEMBL6899234 0.76 HPRT1 (0.57) HPRT1PNPTYMPCYP3A4
SCHEMBL6898752 0.76 HPRT1 (0.57) HPRT1PNPTYMPCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3561272-B2 2004-09-02 JP claimed
EP-0654037-B1 ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS ACAD OF SCIENCE CZECH REPUBLIC (CZ) 1999-05-12 EP claimed
EP-0654037-A1 ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1995-05-24 EP claimed
WO-1994003467-A2 ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1994-02-17 WO claimed
US-6653296-B1 2-phosphonomethoxypropyl derivatives of purine and pyrimidine bases INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2003-11-25 US disclosed
EP-0654037-B1 ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS ACAD OF SCIENCE CZECH REPUBLIC (CZ) 1999-05-12 EP disclosed
EP-0654037-A1 ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1995-05-24 EP disclosed
WO-1994003467-A2 ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1994-02-17 WO disclosed