SCHEMBL21752879

SCHEMBL21752879

O=S(=O)(O)CCN1CCN(CCO)CC1.[RbH]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 4/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
HSD11B1 P28845 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.33
CYP2D6 P10635 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
SCHEMBL2229127 0.98 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL2417 0.98 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL9790 0.98 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2ALMNAHTT
Ammonia Solution, Strong SCHEMBL5698223 0.96 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL21752977 0.96 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL21752841 0.96 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL21752843 0.96 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ALMNAHTT
Sulfuric Acid SCHEMBL6545396 0.96 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL18394810 0.96 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL3653844 0.96 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210222118-A1 CHARCOAL-FREE CULTURE MEDIA FOR LEGIONELLA Secretary of State for Health and Social Care (GB) 2021-07-22 US claimed
EP-3841214-A1 CHARCOAL-FREE CULTURE MEDIA FOR LEGIONELLA Secretary of State for Health and Social Care (GB) 2021-06-30 EP claimed
CN-112888790-A Legionella carbon-free culture medium 英国卫生与社会保障部 2021-06-01 CN claimed
WO-2020039213-A1 CHARCOAL-FREE CULTURE MEDIA FOR LEGIONELLA Secretary of State for Health and Social Care (GB) 2020-02-27 WO claimed
US-20210222118-A1 CHARCOAL-FREE CULTURE MEDIA FOR LEGIONELLA Secretary of State for Health and Social Care (GB) 2021-07-22 US disclosed
EP-3841214-A1 CHARCOAL-FREE CULTURE MEDIA FOR LEGIONELLA Secretary of State for Health and Social Care (GB) 2021-06-30 EP disclosed
WO-2020039213-A1 CHARCOAL-FREE CULTURE MEDIA FOR LEGIONELLA Secretary of State for Health and Social Care (GB) 2020-02-27 WO disclosed