SCHEMBL1701338

SCHEMBL1701338

CCCCCCCCCCCCOS(=O)(=O)O.CCCCCCCCCCCCOS(=O)(=O)O.[NaH]

nearest known ligand 0.75

Known targets — ChEMBL curated mechanism

S1PR1S1PR2S1PR3S1PR4S1PR5rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.59
CA2 P00918 10/20 0.59
CA9 Q16790 8/20 0.59
CA12 O43570 3/20 0.59
CA7 P43166 3/20 0.59
CA14 Q9ULX7 3/20 0.59
CA3 P07451 2/20 0.59
CA4 P22748 2/20 0.59
CA6 P23280 2/20 0.59
CA5A P35218 2/20 0.59
CA5B Q9Y2D0 2/20 0.59
RECQL P46063 2/20 0.57
GLA P06280 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
EPHX2 P34913 1/20 0.57
BLM P54132 1/20 0.57
CES2 O00748 1/20 0.47
FNTA P49354 2/20 0.45

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
SCHEMBL11350105 1.00 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL5960355 1.00 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL8488970 1.00 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL247474 1.00 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL50894 1.00 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL25262174 1.00 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL16586306 1.00 CA1 (0.59) CA1CA2CA9CA12CA7
Tetradecane SCHEMBL21048975 1.00 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL22579033 1.00 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL7946865 1.00 CA1 (0.59) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106496403-A A kind of high-performance is mutually used to polyacrylic acid latex and preparation method thereof 蓝星(成都)新材料有限公司 2017-03-15 CN claimed
CN-106221875-A A kind of shape food container machine lubricating fluid and preparation method thereof 蚌埠市钟钲实业有限责任公司 2016-12-14 CN claimed
CN-103880305-B A kind of firming agent for administering heavy metal pollution 东莞市屹城环境技术有限公司 2016-06-08 CN claimed
CN-104800117-A Traditional Chinese medicine toothpaste for resisting diabetic periodontitis and preparation method of toothpaste SUZHOU HEALTH COLLEGE 2015-07-29 CN claimed
CN-103922698-B Ceramsite prepared by using smelting wastes, and preparation method thereof DONGGUAN YICHENG ENVIRONMENTAL TECHNOLOGY CO LTD 2015-07-15 CN claimed
CN-103239369-B Functional biological toothpaste ZHU TIANNAN 2015-05-13 CN claimed
EP-2866774-A1 HIGH WATER CONTENT ORAL COMPOSITIONS COMPRISING MICROCRYSTALLINE CELLULOSE AND CARBOXYMETHYLCELLULOSE Colgate-Palmolive Company (US) 2015-05-06 EP claimed
CN-104411287-A High water content oral compositions comprising microcrystalline cellulose and carboxymethyl cellulose COLGATE PALMOLIVE CO 2015-03-11 CN claimed
CN-103922698-A Ceramsite prepared by using smelting wastes, and preparation method thereof DONGGUAN YICHENG ENVIRONMENTAL TECHNOLOGY CO LTD 2014-07-16 CN claimed
CN-103880305-A Curing agent for treatment of heavy metal pollution DONGGUAN YICHENG ENVIRONMENTAL TECHNOLOGY CO LTD 2014-06-25 CN claimed
WO-2014003776-A1 HIGH WATER CONTENT ORAL COMPOSITIONS COMPRISING MICROCRYSTALLINE CELLULOSE AND CARBOXYMETHYLCELLULOSE COLGATE-PALMOLIVE COMPANY (US) 2014-01-03 WO claimed
CN-103239369-A Functional biological toothpaste ZHU TIANNAN 2013-08-14 CN claimed
CN-102504740-A Bonder for KT (Karat) board for advertisement Shanghai jiahua advertisement co ltd 2012-06-20 CN claimed
CN-101756878-A Medical dental cream for oral health care of children and preparation method thereof TIENS GROUP CO LTD 2010-06-30 CN claimed
CN-1861764-A Oxidized composite fuel and its mated burner WANG JUYAN (CN) 2006-11-15 CN claimed
WO-2024085308-A1 HAIR CLEANSER COMPOSITION INCLUDING GUAIACUM OFFICINALE WOOD EXTRACT 이건희 2024-04-25 WO disclosed
WO-2023226679-A1 3C-LIKE PROTEASE INHIBITOR 广州国家实验室 2023-11-30 WO disclosed
US-4826922-A BLEND WITH INDENE COPOLYMER THE STANDARD OIL COMPANY (US) 1989-05-02 US disclosed
US-4781916-A NAIL POLISH REMOVER Pegel, Karl Heinrich 1988-11-01 US disclosed
EP-0251146-A2 Composition for oral hygiene Blendax GmbH (DE) 1988-01-07 EP disclosed