SCHEMBL23635934

SCHEMBL23635934

NC(C[S+]([O-])CCCO)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.35
▸ SLC7A11 Q9UPY5 1/20 0.35
▸ SLC1A1 P43005 3/20 0.35
▸ GSR P00390 2/20 0.35
▸ NOS1 P29475 3/20 0.33
▸ GRIK1 P39086 2/20 0.33
▸ SLC1A3 P43003 2/20 0.33
▸ SLC1A2 P43004 2/20 0.33
▸ GRIK2 Q13002 2/20 0.33
▸ SLC7A5 Q01650 1/20 0.33
▸ GRM8 O00222 1/20 0.33
▸ GRM6 O15303 1/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ GRIA2 P42262 1/20 0.33
▸ GRIA3 P42263 1/20 0.33
▸ GRIA4 P48058 1/20 0.33

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
SCHEMBL28573530 1.00 PTGS1 (0.35) PTGS1SLC7A11SLC1A1GSRNOS1
SCHEMBL13684358 0.88 PTGS1 (0.38) PTGS1SLC7A11SLC1A1GSRGRIK1
SCHEMBL1158176 0.83 SLC1A2 (0.44) PTGS1SLC7A11SLC1A1GSRNOS1
SCHEMBL21381531 0.83 GRM8 (0.45) SLC1A1GSRGRIK1SLC1A3SLC1A2
SCHEMBL21381529 0.83 GRM8 (0.45) SLC1A1GSRGRIK1SLC1A3SLC1A2
SCHEMBL18768255 0.83 GSR (0.47) SLC1A1GSRNOS1GRIK1SLC1A3
SCHEMBL17789224 0.83 SLC1A2 (0.44) PTGS1SLC7A11SLC1A1GSRNOS1
SCHEMBL2405601 0.81 PTGS1 (0.46) PTGS1SLC7A11SLC1A1GSRGRIK1
SCHEMBL2729297 0.80 GSR (0.47) SLC1A1GSRGRIK1SLC1A3SLC1A2
SCHEMBL11883461 0.80 GSR (0.42) PTGS1SLC7A11SLC1A1GSRGRIK1

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
CN-115745853-A Preparation method of fudosteine oxidation impurities 浙江国邦药业有限公司 2023-03-07 — — CN claimed
CN-112881538-B Method for detecting impurities and enantiomers in fudosteine and fudosteine tablets 江苏正大丰海制药有限公司 2022-11-29 — — CN claimed
CN-112881538-A Detection method for impurities and enantiomers in fudosteine and fudosteine tablets 江苏正大丰海制药有限公司 2021-06-01 — — CN claimed
CN-115745853-A Preparation method of fudosteine oxidation impurities 浙江国邦药业有限公司 2023-03-07 — — CN disclosed
CN-115745853-A Preparation method of fudosteine oxidation impurities 浙江国邦药业有限公司 2023-03-07 — — CN disclosed
CN-112881538-B Method for detecting impurities and enantiomers in fudosteine and fudosteine tablets 江苏正大丰海制药有限公司 2022-11-29 — — CN disclosed
US-20210214510-A1 NANOFIBRILLAR CELLULOSE HYDROGEL UPM-KYMMENE CORPORATION (FI) 2021-07-15 — — US disclosed
CN-112881538-A Detection method for impurities and enantiomers in fudosteine and fudosteine tablets 江苏正大丰海制药有限公司 2021-06-01 — — CN disclosed
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