SCHEMBL4368380

SCHEMBL4368380

CC=C(C)C(=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
SCHEMBL4370705 1.00
SCHEMBL4368375 1.00
Potassium Ion SCHEMBL4359906 0.97
Potassium Ion SCHEMBL4359900 0.97
Potassium Ion SCHEMBL4363765 0.97
SCHEMBL10383548 0.93 CA4 (0.47)
Zinc Ion SCHEMBL2045242 0.93 CA4 (0.47)
Lithium Ion SCHEMBL6335952 0.93
SCHEMBL21635650 0.93 CA4 (0.47)
Zinc Ion SCHEMBL2045240 0.93 CA4 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4066560-A POLYSILOXANES GENERAL ELECTRIC COMPANY (US) 1978-01-03 US claimed
US-9872821-B1 Methods and formulations for curling hair LIQWD, INC. (US) 2018-01-23 US disclosed
US-20180015015-A1 METHODS AND FORMULATIONS FOR CURLING HAIR OLAPLEX, INC. 2018-01-18 US disclosed
WO-2018013370-A1 METHODS AND FORMULATIONS FOR CURLING HAIR LIQWD, INC. (US) 2018-01-18 WO disclosed
US-7619108-B2 Process for preparing unsaturated organosilicon compounds WACKER CHEMIE AG (DE) 2009-11-17 US disclosed
US-20080293958-A1 Process for Preparing Unsaturated Organosilicon Compounds WACKER CHEMIE AG (DE) 2008-11-27 US disclosed
EP-1824919-A1 STABILIZED ORGANIC MATERIALS CONTAINING FILLERS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-08-29 EP disclosed
WO-2006063957-A1 STABILIZED ORGANIC MATERIALS CONTAINING FILLERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-06-22 WO disclosed
US-6815554-B2 REACTING A HALOALKYLSILANE WITH A SALT OF AN UNSATURATED CARBOXYLIC ACID IN THE PRESENCE OF A PHASE TRANSFER CATALYST; BONDING AGENTS WACKER-CHEMIE GMBH (DE) 2004-11-09 US disclosed
US-6486360-B1 Singlet oxygen oxidation of organic substrates DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-11-26 US disclosed
US-20020151736-A1 PROCESS FOR PREPARING UNSATURATED ORGANOSILICON COMPOUNDS WACKER-CHEMIE GMBH (DE) 2002-10-17 US disclosed
US-5891958-A CLEAR POLYMER COATING ON SURFACE WITH METAL POWDER OR COLOR PIGMENT KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1999-04-06 US disclosed
US-4066560-A POLYSILOXANES GENERAL ELECTRIC COMPANY (US) 1978-01-03 US disclosed