SCHEMBL2949002

SCHEMBL2949002

CNCCCC(=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
Hydrogen Sulfide SCHEMBL28887911 0.98 CA1 (0.52)
SCHEMBL9634201 0.95
SCHEMBL9635577 0.95
Potassium Ion SCHEMBL7052061 0.95
Lithium Ion SCHEMBL580256 0.95
SCHEMBL9129127 0.93 CA1 (0.52)
SCHEMBL9126166 0.91 CA1 (0.50)
SCHEMBL10345913 0.88 BBOX1 (0.46)
SCHEMBL5880627 0.84
Potassium Ion SCHEMBL7047517 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024249072-A1 TECHNIQUE FOR FORMING A POLYARYLENE SULFIDE RESIN TICONA LLC (US) 2024-12-05 WO claimed
US-20240400763-A1 Technique for Forming a Polyarylene Sulfide Resin TICONA LLC 2024-12-05 US claimed
US-9868824-B2 Method of polyarylene sulfide crystallization TICONA LLC (US) 2018-01-16 US claimed
US-9617387-B2 Scrubbing process for polyarylene sulfide formation TICONA LLC (US) 2017-04-11 US claimed
US-9587074-B2 Multi-stage process for forming polyarylene sulfides TICONA LLC (US) 2017-03-07 US claimed
US-9562139-B2 Process for forming low halogen content polyarylene sulfides TICONA LLC (US) 2017-02-07 US claimed
US-9403948-B2 Salt byproduct separation during formation of polyarylene sulfide TICONA LLC (US) 2016-08-02 US claimed
US-9388283-B2 Method of polyarylene sulfide crystallization TICONA LLC (US) 2016-07-12 US claimed
US-20160130400-A1 CONTINUOUS PROCESS FOR PRODUCING POLY(ARYLENE SULFIDE) SOLVAY SA (BE) 2016-05-12 US claimed
WO-2016071341-A1 A CONTINUOUS PROCESS FOR PRODUCING POLY(ARYLENE SULFIDE) SOLVAY SA (BE) 2016-05-12 WO claimed
US-5438115-A Atleast one base as a reactant contacted with polymerization reaction mixture incremently during polymerization PHILLIPS PETROLEUM COMPANY (US) 1995-08-01 US claimed
US-5344973-A Reaction of N-methyl-2-pyrrolidone with hydroxide of alkali metal IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) 1994-09-06 US claimed
EP-0581075-A1 Process for preparation of lithium N-methylaminobutyrate IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1994-02-02 EP claimed
EP-0534359-A1 Process for preparing arylene sulfide polymers PHILLIPS PETROLEUM COMPANY (US) 1993-03-31 EP claimed
US-5110902-A High molecular weight polythioether-sulfones PHILLIPS PETROLEUM COMPANY (US) 1992-05-05 US claimed
US-5086163-A High molecular weight polymers formed by contacting dihaloaromatic sulfone with complex of alkali metal aminoalkanoate and alkalimetal hydrosulfide PHILLIPS PETROLEUM COMPANY (US) 1992-02-04 US claimed
US-5023315-A Reacting dihaloaromatic component with complex of lactams, alkali hydroxide and sulfur source, such as alkali metal bisulfide, thiolactam or hydrogen sulfide; whiteness, purity PHILLIPS PETEROLEUM COMPANY (US) 1991-06-11 US claimed
EP-0309955-A1 Aromatic sulfide/sulfone polymer production PHILLIPS PETROLEUM COMPANY (US) 1989-04-05 EP claimed
US-4529818-A Reacting alkali metal hydroxide with N-methylpyrrolidone PHILLIPS PETROLEUM COMPANY (US) 1985-07-16 US claimed
US-4060520-A Continuous reaction for preparation of arylene sulfide polymer PHILLIPS PETROLEUM COMPANY (US) 1977-11-29 US claimed