Acrylic Acid

Acrylic Acid

SCHEMBL5705251

C=C(C=CC(N)=O)C(=O)NC(CC)S(=O)(=O)O.C=CC(=O)[O-].[Na+]

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Acrylic Acid. 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
SCHEMBL1279982 0.91
SCHEMBL232367 0.80
SCHEMBL8539211 0.79 TSHR (0.34)
Acrylamide SCHEMBL5565115 0.78
SCHEMBL7749797 0.76
SCHEMBL9782578 0.75
Acrylamide SCHEMBL10876018 0.73 TSHR (0.42)
SCHEMBL6558496 0.71
SCHEMBL6652448 0.70 MMP1 (0.38)
SCHEMBL28077512 0.70 TSHR (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115663-B1 METHOD OF DEWATERING DIFFICULT SLUDGES NALCO CHEMICAL CO (US) 2006-09-20 EP claimed
EP-1115663-A4 METHOD OF DEWATERING DIFFICULT SLUDGES NALCO CHEMICAL CO (US) 2003-08-13 EP claimed
EP-1115663-A1 METHOD OF DEWATERING DIFFICULT SLUDGES NALCO CHEMICAL COMPANY (US) 2001-07-18 EP claimed
US-6083404-A MIXING WITH AN COAGULANT AND FLOCCULANT NALCO CHEMICAL COMPANY (US) 2000-07-04 US claimed
WO-2000017112-A1 METHOD OF DEWATERING DIFFICULT SLUDGES NALCO CHEMICAL COMPANY (US) 2000-03-30 WO claimed
US-20030015219-A1 Cleaning process and composition ECOLAB USA INC. 2003-01-23 US disclosed