SCHEMBL30601181

SCHEMBL30601181

CC1C=CC=CC1(C)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL31467546 1.00
SCHEMBL6106125 0.79
SCHEMBL31692119 0.78
SCHEMBL31290193 0.76
SCHEMBL29575672 0.69
SCHEMBL31366856 0.65
SCHEMBL30248227 0.64
SCHEMBL7996180 0.64
SCHEMBL30301186 0.62
SCHEMBL5329389 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3938483-B1 LIQUID PRODUCT FOR STAINLESS-STEEL CORROSION REMEDIATION AMERICAN STERILIZER CO (US) 2025-12-03 EP claimed
CN-119800360-A Cu-Mo alloy multi-film structure etching solution composition 四川和晟达电子科技有限公司 2025-04-11 CN claimed
US-20260137609-A1 HAIR WASHING COMPOSITION KAO CORPORATION (JP) 2026-05-21 US disclosed
EP-4680673-A1 CAPPED BLOCK COPOLYMERS, THEIR SYNTHESIS, MANUFACTURE, AND METHODS OF USE Ecolab USA Inc. (US) 2026-01-21 EP disclosed
CN-119800360-A Cu-Mo alloy multi-film structure etching solution composition 四川和晟达电子科技有限公司 2025-04-11 CN disclosed
EP-4501413-A1 HAIR WASHING COMPOSITION Kao Corporation (JP) 2025-02-05 EP disclosed
CN-118871078-A Cosmetic or dermatological composition comprising at least a merocyanine and a hydrotrope 欧莱雅 2024-10-29 CN disclosed
WO-2024196726-A1 CAPPED BLOCK COPOLYMERS, THEIR SYNTHESIS, MANUFACTURE, AND METHODS OF USE ECOLAB USA INC. (US) 2024-09-26 WO disclosed
US-20240309142-A1 CAPPED BLOCK COPOLYMERS, THEIR SYNTHESIS, MANUFACTURE, AND METHODS OF USE ECOLAB USA INC. 2024-09-19 US disclosed
EP-4257663-A1 FOOD CONTACT SURFACE SANITIZING LIQUID The Procter & Gamble Company (US) 2023-10-11 EP disclosed