SCHEMBL193289

SCHEMBL193289

O=S(=O)([O-])CCCCO.[Na+]

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 9/20 0.42
ALDH1A1 P00352 2/20 0.52
TSHR P16473 2/20 0.52
TP53 P04637 2/20 0.52
GMNN O75496 1/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
THPO P40225 1/20 0.52
HBB P68871 1/20 0.52
PMP22 Q01453 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
BBOX1 O75936 3/20 0.42
ENPEP Q07075 2/20 0.40
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2384321 0.97 ALDH1A1 (0.50) ALDH1A1TSHRTP53GMNNLMNA
SCHEMBL2384441 0.97 ALDH1A1 (0.50) ALDH1A1TSHRTP53GMNNLMNA
SCHEMBL29271944 0.97 ALDH1A1 (0.50) ALDH1A1TSHRTP53GMNNLMNA
SCHEMBL2383935 0.97 ALDH1A1 (0.50) ALDH1A1TSHRTP53GMNNLMNA
SCHEMBL4412723 0.97 ALDH1A1 (0.50) ALDH1A1TSHRTP53GMNNLMNA
SCHEMBL10885084 0.97 ALDH1A1 (0.50) ALDH1A1TSHRTP53GMNNLMNA
SCHEMBL362292 0.97 ALDH1A1 (0.50) ALDH1A1TSHRTP53GMNNLMNA
SCHEMBL2384964 0.97 ALDH1A1 (0.50) ALDH1A1TSHRTP53GMNNLMNA
SCHEMBL2384744 0.97 ALDH1A1 (0.50) ALDH1A1TSHRTP53GMNNLMNA
Bromide SCHEMBL31299733 0.95 ALDH1A1 (0.48) ALDH1A1TSHRTP53GMNNLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117264159-B Preparation method and application of anionic water-based polyaspartic acid ester resin ZHEJIANG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2026-05-26 CN claimed
CN-119504273-A High-heat-conductivity refractory castable and preparation method thereof 河南中耐高科炉衬材料有限公司 2025-02-25 CN claimed
WO-2024216996-A1 FLUOROPOLYMER, CONDUCTIVE PASTE, POSITIVE ELECTRODE SHEET, SECONDARY BATTERY, ELECTRICAL DEVICE 宁德时代新能源科技股份有限公司 2024-10-24 WO claimed
CN-118812764-A Fluoropolymer, conductive paste, positive electrode sheet, secondary battery, and electricity device 宁德时代新能源科技股份有限公司 2024-10-22 CN claimed
CN-118146124-A Sulfonate containing ester group, preparation process and application thereof 苏州祺添新材料股份有限公司 2024-06-07 CN claimed
CN-117264159-A Preparation method and application of anionic water-based polyaspartic acid ester resin 浙江科技学院 2023-12-22 CN claimed
CN-116396461-A Isocyanate-terminated prepolymer, application thereof and polyurethane adhesive prepared from prepolymer 北京大清生物技术股份有限公司 2023-07-07 CN claimed
CN-112023726-B Low-energy-consumption high-flux reverse osmosis membrane and preparation method and application thereof 万华化学集团股份有限公司 2022-07-12 CN claimed
CN-112266457-B Photocuring hydrophilic polyurea nano particle and preparation method and application thereof 广州市嵩达新材料科技有限公司 2022-04-05 CN claimed
CN-109320123-B Modified lignosulfonate water reducing agent and preparation method thereof 贵州凯襄新材料有限公司 2021-08-06 CN claimed
CN-109020290-B Modified water reducing agent and preparation method thereof 贵州凯襄新材料有限公司 2021-03-23 CN claimed
CN-112266457-A Photocuring hydrophilic polyurea nano particle and preparation method and application thereof 广州市嵩达新材料科技有限公司 2021-01-26 CN claimed
CN-112023726-A Low-energy-consumption high-flux reverse osmosis membrane and preparation method and application thereof 万华化学集团股份有限公司 2020-12-04 CN claimed
CN-111499547-A Preparation method and application of alkyl ether sulfonyl fluoride compound 江汉大学 2020-08-07 CN claimed
CN-108264622-B Waterborne polyurethane, preparation intermediate and preparation method thereof 比亚迪股份有限公司 2020-06-19 CN claimed
CN-102033115-B Separating and measuring method of 4-hydroxy butane sodium sulfonate in sulfobutyl ether-beta-cyclodextrin HAINAN HEDETONG MEDICAL TECHNOLOGY CO LTD 2013-03-20 CN claimed
CN-102033115-A Separating and measuring method of 4-hydroxy butane sodium sulfonate in sulfobutyl ether-beta-cyclodextrin HAINAN HEDETONG MEDICAL TECHNOLOGY CO LTD 2011-04-27 CN claimed
US-20020004578-A1 Polyester compositions containing polar chain terminatos SHELBY MARCUS DAVID (US) 2002-01-10 US claimed
EP-1054664-A1 METHOD FOR MODULATING MACROPHAGE ACTIVATION Neurochem, Inc. (CA) 2000-11-29 EP claimed
WO-1999040909-A1 METHOD FOR MODULATING MACROPHAGE ACTIVATION NEUROCHEM, INC. (CA) 1999-08-19 WO claimed