SCHEMBL4334300

SCHEMBL4334300

C=COC(=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
SCHEMBL218488 0.78
SCHEMBL17022451 0.76
SCHEMBL20162100 0.70
SCHEMBL9756695 0.70
SCHEMBL28424248 0.69 LMNA (0.30)
Lithium Ion SCHEMBL27994878 0.69
SCHEMBL6320580 0.69 LMNA (0.30)
SCHEMBL503772 0.69
SCHEMBL27822044 0.69 LMNA (0.30)
SCHEMBL22341597 0.67 CES2 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110499674-A A kind of environment-friendly type paper base humidifying and purifying net manufacturing method and application SINOLIGHT SPECIAL FIBER MAT CO LTD 2019-11-26 CN claimed
US-9454021-B2 Contact lenses OPTOMETRIC TECHNOLOGY GROUP LTD. (GB) 2016-09-27 US claimed
US-20140152953-A1 LENSES OPTOMETRIC TECHNOLOGY GROUP LTD. (GB) 2014-06-05 US claimed
EP-2666053-A1 LENSES Guillon, Michel (GB) 2013-11-27 EP claimed
WO-2012098398-A1 LENSES GUILLON MICHEL (GB) 2012-07-26 WO claimed
US-5580910-A Self sealing film KIMBERLY-CLARK CORPORATION (US) 1996-12-03 US claimed
US-9454021-B2 Contact lenses OPTOMETRIC TECHNOLOGY GROUP LTD. (GB) 2016-09-27 US disclosed
US-20140152953-A1 LENSES OPTOMETRIC TECHNOLOGY GROUP LTD. (GB) 2014-06-05 US disclosed
EP-2666053-A1 LENSES Guillon, Michel (GB) 2013-11-27 EP disclosed
WO-2012098398-A1 LENSES GUILLON MICHEL (GB) 2012-07-26 WO disclosed
US-7612142-B2 Materials having crosslinked polyrotaxane and process for producing the same THE UNIVERSITY OF TOKYO (JP) 2009-11-03 US disclosed
US-20090011933-A1 Materials having crosslinked polyrotaxane and process for producing the same THE UNIVERSITY OF TOKYO (JP) 2009-01-08 US disclosed
US-6833488-B2 For absorption of body fluids, soil conditioning, drying agents of hydrophobic liquids such as petroleum products or fuels, and medical equipment EXOTECH BIO SOLUTION LTD. (IL) 2004-12-21 US disclosed
US-20020193516-A1 Biocompatible, Biodegradable, water-absorbent material and methods for its preparation GREEN POLYMERS LTD (IL) 2002-12-19 US disclosed