SCHEMBL30716745

SCHEMBL30716745

Cc1nc(C(=O)O)sc1CCOP(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.32
TKT P29401 3/20 0.32
YWHAG P61981 1/20 0.32
YWHAZ P63104 1/20 0.32
P2RX7 Q99572 1/20 0.32
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
LMNA P02545 3/20 0.30
ESR1 P03372 1/20 0.30
PTGS1 P23219 1/20 0.30
ACP1 P24666 1/20 0.30
PDE4A P27815 1/20 0.30
P2RX1 P51575 1/20 0.30
P2RX2 Q9UBL9 1/20 0.30
TP53 P04637 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
SCHEMBL280483 0.78 GAA (0.33) GAAALDH1A1ITGB3ITGA2B
SCHEMBL259210 0.75 GAA (0.34) GAAALDH1A1PTGS1MAPT
SCHEMBL25301498 0.73 HRH2 (0.39) TDP1GAAALDH1A1LMNAMAPT
SCHEMBL290148 0.72 ALDH1A1 (0.37) GAAALDH1A1MAPT
SCHEMBL6257799 0.69 TDP1 (0.34) TDP1LPAR3LPAR1LPAR2ESR1
SCHEMBL459428 0.68 ALDH1A1 (0.50) TDP1ALDH1A1TKTLMNAMAPT
SCHEMBL8682386 0.68 FBP1 (0.35) GAAALDH1A1LMNATP53MAPT
SCHEMBL11833656 0.64 ALDH1A1 (0.42) GAAALDH1A1MAPT
SCHEMBL3655946 0.62 ALDH1A1 (0.61) TDP1GAAALDH1A1MAPT
SCHEMBL6258081 0.62 TDP1 (0.32) TDP1LPAR3LPAR1LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4555076-A1 MICROBIAL CELL FACTORIES PRODUCING THIAMINE Biosyntia ApS (DK) 2025-05-21 EP disclosed
CN-119731312-A Microbial cell factory for producing thiamine 拜奥信尼亚私营有限责任公司 2025-03-28 CN disclosed
WO-2024013212-A1 MICROBIAL CELL FACTORIES PRODUCING THIAMINE BIOSYNTIA APS (DK) 2024-01-18 WO disclosed