Thiamine Ion

Thiamine Ion

SCHEMBL21904644

Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.N

nearest known ligand 0.98

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.98
TDP1 Q9NUW8 1/20 0.68
TKT P29401 12/20 0.67
KDM4E B2RXH2 1/20 0.64
LMNA P02545 1/20 0.63

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
Thiamine Ion SCHEMBL28524160 0.99 HSP90AA1 (0.95) HSP90AA1TDP1TKTKDM4ELMNA
Thiamine Ion SCHEMBL27955189 0.99 HSP90AA1 (1.00) HSP90AA1TDP1TKTKDM4ELMNA
Thiamine Ion SCHEMBL29361686 0.99 HSP90AA1 (1.00) HSP90AA1TDP1TKTKDM4ELMNA
Thiamine Ion SCHEMBL10075 0.99 HSP90AA1 (1.00) HSP90AA1TDP1TKTKDM4ELMNA
Thiamine Ion SCHEMBL23290122 0.98 HSP90AA1 (0.98) HSP90AA1TDP1TKTKDM4ELMNA
Thiamine Ion SCHEMBL1704948 0.98 HSP90AA1 (0.98) HSP90AA1TDP1TKTKDM4ELMNA
Thiamine Ion SCHEMBL7090274 0.98 HSP90AA1 (0.98) HSP90AA1TDP1TKTKDM4ELMNA
Thiamine Ion SCHEMBL9468417 0.98 HSP90AA1 (0.98) HSP90AA1TDP1TKTKDM4ELMNA
Thiamine Ion SCHEMBL193755 0.98 HSP90AA1 (0.98) HSP90AA1TDP1TKTKDM4ELMNA
Thiamine Ion SCHEMBL10074 0.98 HSP90AA1 (0.98) HSP90AA1TDP1TKTKDM4ELMNA

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-212645470-U Waste heat utilization system 山东方明化工股份有限公司 2021-03-02 CN claimed
CN-213965938-U Energy-saving emission-reducing desulfurizer ammonia water pipeline 潍坊特钢集团有限公司 2021-08-17 CN disclosed
CN-212645470-U Waste heat utilization system 山东方明化工股份有限公司 2021-03-02 CN disclosed
CN-107260680-B Dasatinib liposome preparation and preparation method thereof 上海交通大学 2021-02-12 CN disclosed
US-20200138999-A1 Air/Water Purification Ion-Exchange Resin Filtration & UVc Filtration System CRONIN AMELIA HAMILTON (US) 2020-05-07 US disclosed