SCHEMBL11044628

SCHEMBL11044628

CC(C)CC(CC(C)C)C(C(=O)[O-])C(C(=O)[O-])(C(CC(C)C)CC(C)C)S(=O)(=O)O.[Na+].[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
SCHEMBL11067161 0.78 RNPEP (0.32)
SCHEMBL3869020 0.76
Potassium Ion SCHEMBL7955203 0.73 CYP3A4 (0.35)
SCHEMBL2992795 0.70
SCHEMBL7095719 0.69 CA2 (0.40)
SCHEMBL29757397 0.67 CA2 (0.31)
SCHEMBL2948510 0.66
Potassium Ion SCHEMBL11581382 0.65
SCHEMBL8411826 0.64 CA2 (0.38)
SCHEMBL587187 0.64 CA2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260028481-A1 WATERBORNE SILICONE EMULSION, METHOD FOR MAKING SAME, AND COMPOSITIONS COMPRISING SUCH EMULSIONS MOMENTIVE PERFORMANCE MAT INC (US) 2026-01-29 US disclosed
US-12364659-B2 Multicomponent in situ coloration composition WELLA INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2025-07-22 US disclosed
US-12297356-B2 Pigment dispersion SWIMC LLC (US) 2025-05-13 US disclosed
EP-4493149-A2 METHODS FOR MARKING A TARGET LOCATION FOR A MEDICAL PROCEDURE Ephemeral Solutions, Inc. (US) 2025-01-22 EP disclosed
US-12201714-B2 Multicomponent pur composition WELLA INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2025-01-21 US disclosed
US-20240261213-A1 MULTICOMPONENT PUR COMPOSITION Wella International Operations Switzerland Sárl (CH) 2024-08-08 US disclosed
US-12053542-B2 Multicomponent silicone composition WELLA INT OPERATIONS SWITZERLAND SARL (CH) 2024-08-06 US disclosed
US-11904042-B2 Hair coloring composition and methods for its application and removal HFC Prestige International Holding Switzerland S.a.r.l. (CH) 2024-02-20 US disclosed
EP-3691751-B1 DUAL POLYMER COMPONENT HAIR COLORING COMPOSITION WELLA OPERATIONS US LLC (US) 2024-02-14 EP disclosed
EP-4291136-A1 PARTICLES CONTAINING COLORING AGENTS AND METHODS OF USING THE SAME Ephemeral Solutions, Inc. (US) 2023-12-20 EP disclosed
WO-2020114647-A1 MULTICOMPONENT IN SITU COLORATION COMPOSITION HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2020-06-11 WO disclosed
US-20200093730-A1 DUAL POLYMER COMPONENT HAIR COLORING COMPOSITION COTY INC. (US) 2020-03-26 US disclosed
WO-2020007510-A1 MULTICOMPONENT PUR COMPOSITION HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2020-01-09 WO disclosed
WO-2020007511-A1 MULTICOMPONENT SILICONE COMPOSITION HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2020-01-09 WO disclosed
WO-2020008074-A1 HAIR COLORING COMPOSITION AND METHODS FOR ITS APPLICATION AND REMOVAL HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2020-01-09 WO disclosed
WO-2019071207-A1 DUAL POLYMER COMPONENT HAIR COLORING COMPOSITION COTY, INC. (US) 2019-04-11 WO disclosed
US-20180086917-A1 PIGMENT DISPERSION SWIMC LLC 2018-03-29 US disclosed
EP-3277415-A1 PIGMENT DISPERSION Valspar Sourcing, Inc. (US) 2018-02-07 EP disclosed
WO-2016161387-A1 PIGMENT DISPERSION VALSPAR SOURCING, INC. (US) 2016-10-06 WO disclosed
US-4430158-A WET TREATMENT, MESHING, BINDING, UREA-FORMALDEHYDE RESIN, ANIONIC SURFACTANTS GAF CORPORATION (US) 1984-02-07 US disclosed