Thiamine Ion

Thiamine Ion

SCHEMBL5329756

CCCCCCCCCCCCOS(=O)(=O)OCCCCCCCCCCCC.Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.[Cl-]

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Thiamine Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.69
▸ TDP1 Q9NUW8 1/20 0.58
▸ TKT P29401 10/20 0.55
▸ LMNA P02545 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.49

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 SCHEMBL6831590 1.00 HSP90AA1 (0.69) HSP90AA1TDP1TKTLMNAALDH1A1
Thiamine Ion SCHEMBL1499694 0.94 HSP90AA1 (0.68) HSP90AA1TDP1TKTLMNAALDH1A1
Thiamine Ion SCHEMBL6274353 0.94 HSP90AA1 (0.68) HSP90AA1TDP1TKTLMNAALDH1A1
Thiamine Ion SCHEMBL7786248 0.93 HSP90AA1 (0.66) HSP90AA1TDP1TKTLMNAALDH1A1
Thiamine Ion SCHEMBL1499696 0.92 HSP90AA1 (0.68) HSP90AA1TDP1TKTLMNAALDH1A1
Thiamine Ion SCHEMBL6274356 0.92 HSP90AA1 (0.68) HSP90AA1TDP1TKTLMNAALDH1A1
Thiamine Ion SCHEMBL28650146 0.92 HSP90AA1 (0.68) HSP90AA1TDP1TKTLMNAALDH1A1
Thiamine Ion SCHEMBL29858574 0.92 HSP90AA1 (0.68) HSP90AA1TDP1TKTLMNAALDH1A1
Thiamine Ion SCHEMBL7786252 0.92 HSP90AA1 (0.68) HSP90AA1TDP1TKTLMNAALDH1A1
Thiamine Ion SCHEMBL1499697 0.92 HSP90AA1 (0.67) HSP90AA1TDP1TKTLMNAALDH1A1

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119384278-A Method for treating mental diseases 上海日馨医药科技股份有限公司 2025-01-28 — — CN claimed
WO-2023236781-A1 METHOD FOR TREATING MENTAL DISEASES 上海日馨医药科技股份有限公司 2023-12-14 — — WO claimed
CN-109651356-B Method for preparing thiamine dilauryl sulfate 江西天新药业股份有限公司 2020-03-10 — — CN claimed
CN-109864072-A A kind of Hostathion composite insecticide 徐州农丰生物化工有限公司 2019-06-11 — — CN claimed
CN-109651356-A The method for preparing thiamine dilauryl sulfate 江西天新药业股份有限公司 2019-04-19 — — CN claimed
CN-108849551-A A kind of excrement cleaning method of raising shed 张诗敏 2018-11-23 — — CN claimed
CN-108739861-A A kind of pig house that pig growth activity can be improved air type disinfectant 安徽翠平生态农业科技发展有限公司 2018-11-06 — — CN claimed
CN-108552268-A A kind of sterile avirulent ginger disinfectant 临泉县盈昌农副产品有限公司 2018-09-21 — — CN claimed
CN-108323339-A A kind of Grafted Eggplant method 舒城县汤池镇昌涛生态蔬菜种植专业合作社 2018-07-27 — — CN claimed
WO-2018124528-A1 METHOD FOR PREPARING THIAMINE DILAURYL SULFATE WITHOUT USING ORGANIC SOLVENT CHOI TAE HO (KR) 2018-07-05 — — WO claimed
CN-105010333-B Bactericide and its application 中国农业科学院蔬菜花卉研究所 2017-12-08 — — CN claimed
CN-107318889-A A kind of disinfectant for vegetables 徐州农丰生物化工有限公司 2017-11-07 — — CN claimed
US-20170312293-A1 ANTIMICROBIAL WATER DISPERSIBLE COMPOSITION COMPRISING ZINC PYRITHIONE KOLON LIFE SCIENCE, INC. (KR) 2017-11-02 — — US claimed
EP-3219208-A1 ANTIMICROBIAL WATER DISPERSIBLE COMPOSITION COMPRISING ZINC PYRITHIONE Kolon Life Science (KR) 2017-09-20 — — EP claimed
CN-106998691-A Antibacterial aqueous dispersion composition containing zinc pyrithione 可隆生命科学株式会社 2017-08-01 — — CN claimed
CN-106508961-A Disinfectant 威海裕隆水产开发有限公司 2017-03-22 — — CN claimed
CN-105010333-A Bactericide and use thereof INST VEGETABLES & FLOWERS CAAS 2015-11-04 — — CN claimed
CN-103732068-A Pesticide containing aqueous thiamine dilauryl sulfate for controlling and preventing plant diseases DOOSANECOBIZNET CO LTD 2014-04-16 — — CN claimed
CN-1091359-C Instant food with balanced nutrients WANG YONGHONG (CN) 2002-09-25 — — CN claimed
CN-1270771-A Instant food with balanced nutrients WANG YONGHONG (CN) 2000-10-25 — — CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170312293-A1 ANTIMICROBIAL WATER DISPERSIBLE COMPOSITION COMPRISING ZINC PYRITHIONE WARS1, TST, SLC19A2 HSP90AA1 1779/4885TDP1 577/4885TKT 35/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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