SCHEMBL7738518

SCHEMBL7738518

CCCCC[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
SCHEMBL29407263 1.00 TSHR (0.50)
SCHEMBL29558624 0.96 TSHR (0.57)
SCHEMBL9328424 0.96 TSHR (0.57)
SCHEMBL29880995 0.96 TSHR (0.57)
SCHEMBL11353224 0.96 TSHR (0.57)
SCHEMBL7710689 0.96 TSHR (0.57)
SCHEMBL7704836 0.96 TSHR (0.57)
SCHEMBL7744361 0.96
SCHEMBL10757626 0.96 TSHR (0.57)
SCHEMBL10364806 0.96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057687-B Preparation method of pyridyl pyrazolone carboxylic ester compound 沈阳中化农药化工研发有限公司 2023-11-14 CN claimed
CN-116782865-A Atomic layer deposition coated pharmaceutical packages, improved syringes and vials, e.g., for lyophilization/cold chain drugs/vaccines SIO2医药产品公司 2023-09-19 CN claimed
CN-109627382-A Conjugated diolefin polymer and its formula and manufacturing method 台橡股份有限公司 2019-04-16 CN claimed
CN-1095477-C Method for preparing polyacrylonitrile UNIV SUZHOU (CN) 2002-12-04 CN claimed
CN-1168893-A Method for preparing polyacrylonitrile UNIV SUZHOU (CN) 1997-12-31 CN claimed
CN-117186358-A Purification method of epoxy resin 江苏扬农锦湖化工有限公司 2023-12-08 CN disclosed
CN-114057687-B Preparation method of pyridyl pyrazolone carboxylic ester compound 沈阳中化农药化工研发有限公司 2023-11-14 CN disclosed
CN-116969953-A Diphenyl pyrrolo-pyrrole-dione derivative, pigment composition and application thereof 山东凯瑞尔光电科技有限公司 2023-10-31 CN disclosed
CN-116782865-A Atomic layer deposition coated pharmaceutical packages, improved syringes and vials, e.g., for lyophilization/cold chain drugs/vaccines SIO2医药产品公司 2023-09-19 CN disclosed
CN-116547409-A Pulsed plasma enhanced chemical vapor deposition method and system SIO2医药产品公司 2023-08-04 CN disclosed
CN-108384032-B Method for preparing cross-linking type aryloxy polyphosphazene elastomer 北京化工大学 2020-09-22 CN disclosed
CN-109627382-A Conjugated diolefin polymer and its formula and manufacturing method 台橡股份有限公司 2019-04-16 CN disclosed
CN-1450047-A Process for preparation of cyclic diketones SYNGENTA PARTICIPATIONS AG (CH) 2003-10-22 CN disclosed
CN-1436191-A Heteroaryl diazabicycloalkanes as nicotinic cholinergic receptor ligands TARGACEPT INC (US) 2003-08-13 CN disclosed
CN-1095477-C Method for preparing polyacrylonitrile UNIV SUZHOU (CN) 2002-12-04 CN disclosed
US-6429273-B1 ANIONIC POLYMERIZATION OF STYRENE USING MAGNESIUM AND ALKALI METAL-BASED INITIATORS; CONTROLLED MOLECULAR WEIGHT DISTRIBUTION; CONTROLLABLE RATE PREVENTS RUNAWAY REACTION; EXCELLENT MOLDING CHARACTERISTICS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-08-06 US disclosed
CN-1046713-C Tetrahydroisoquinoline compounds, pharmaceutical compositions containing them, and their preparation and use KNORR CO LTD (GB) 1999-11-24 CN disclosed
CN-1168893-A Method for preparing polyacrylonitrile UNIV SUZHOU (CN) 1997-12-31 CN disclosed
US-4946938-A A process for the catalytic synthesis of polyphosphazenes THE UNIVERSITY OF PITTSBURGH (US) 1990-08-07 US disclosed
US-4876306-A USING PHOSPHINIC OR PHOSPHONATE EMULSIFIER MITSUBISHI RAYON COMPANY, LTD. (JP) 1989-10-24 US disclosed