SCHEMBL17560322

SCHEMBL17560322

CN1C(CNC2=CCC(C(=O)O)CC2)=CNc2nc(N)[nH]c(=O)c21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 3/20 0.32
▸ MTHFD1 P11586 1/20 0.32
▸ DHFR P00374 1/20 0.30
▸ NOS3 P29474 1/20 0.30
▸ NOS2 P35228 1/20 0.30

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
SCHEMBL2694720 0.85 — —
SCHEMBL5064786 0.75 DHFR (0.46) MTHFD1DHFR
SCHEMBL7757766 0.73 DHFR (0.31) DHFR
SCHEMBL3980437 0.72 AKR1B1 (0.47) NOS1DHFR
SCHEMBL4616964 0.70 MTHFD1 (0.47) MTHFD1DHFR
SCHEMBL19206626 0.69 NOS1 (0.34) NOS1
SCHEMBL21181617 0.56 GABRP (0.46) —
SCHEMBL12958941 0.55 NOS1 (0.37) NOS1NOS3NOS2
SCHEMBL31315883 0.54 NOS1 (0.43) NOS1NOS3NOS2
SCHEMBL20374994 0.54 NOS1 (0.45) NOS1MTHFD1NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105524066-B (6S) 5 methyl tetrahydrofolate or its salt composite and its preparation and application 连云港金康和信药业有限公司 2017-06-27 — — CN claimed
CN-105524066-A (6S)-5-methyltetrahydrofolic acid or (6S)-5-methyltetrahydrofolate composition and preparation method and use thereof LIANYUNGANG JINKANG HEXIN PHARMACEUTICAL CO LTD 2016-04-27 — — CN claimed
CN-105524066-B (6S) 5 methyl tetrahydrofolate or its salt composite and its preparation and application 连云港金康和信药业有限公司 2017-06-27 — — CN disclosed
CN-105524066-A (6S)-5-methyltetrahydrofolic acid or (6S)-5-methyltetrahydrofolate composition and preparation method and use thereof LIANYUNGANG JINKANG HEXIN PHARMACEUTICAL CO LTD 2016-04-27 — — CN disclosed
WO-2016034145-A1 COMPOSITION OF (6S)-5-METHYL TETRAHYDROFOLIC ACID OR SALT THEREOF AS WELL AS PREPARATION THEREFOR AND APPLICATION THEREOF 连云港金康和信药业有限公司 2016-03-10 — — WO disclosed
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