SCHEMBL19532

SCHEMBL19532

COC(C)[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
SCHEMBL27475746 0.96
SCHEMBL27323492 0.92
SCHEMBL5973848 0.91
SCHEMBL1230385 0.91
SCHEMBL5973894 0.91
Potassium Ion SCHEMBL7978867 0.91
SCHEMBL5973746 0.91
SCHEMBL5975205 0.91
SCHEMBL2788788 0.91
SCHEMBL7718956 0.91

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729291-B2 Method for producing urethanes composed of di-functional aromatic amines and dialkyl carbonates BASF SE (DE) 2014-05-20 US claimed
CN-102675268-A Method for preparing (1R,2R)-2-(2,3-dihydrobenzofuran-4-yl) cyclopropanemethylamine JINAN ZHIHE MEDICAL TECHNOLOGY CO LTD 2012-09-19 CN claimed
CN-102153501-A Chiral nitrogen-containing heterocyclic compound, and synthesis method and application thereof SHANGHAI INST ORGANIC CHEM 2011-08-17 CN claimed
CN-1865259-B Process for preparing piperidine derivative BEIJING D VENTURE PHARM TECH 2010-09-29 CN claimed
US-20240246934-A1 QUINAZOLINE-BASED COMPOUND, COMPOSITION, AND APPLICATION OF QUINAZOLINE-BASED COMPOUND BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2024-07-25 US disclosed
CN-115109036-B Quinazoline compound, composition and application thereof 北京赛特明强医药科技有限公司 2024-06-11 CN disclosed
EP-4293016-A1 QUINAZOLINE-BASED COMPOUND, COMPOSITION, AND APPLICATION OF QUINAZOLINE-BASED COMPOUND Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2023-12-20 EP disclosed
WO-2022194265-A1 QUINAZOLINE-BASED COMPOUND, COMPOSITION, AND APPLICATION OF QUINAZOLINE-BASED COMPOUND 北京赛特明强医药科技有限公司 2022-09-22 WO disclosed
CN-114560857-A Pyrimidopyridine compound and application thereof in medicine 广东东阳光药业有限公司 2022-05-31 CN disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
CN-104557568-B Nicotinic receptor non-competitive antagonists 塔加西普特公司 2017-04-12 CN disclosed
EP-3088400-A1 PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON INC. (US) 2016-11-02 EP disclosed
EP-0008795-B1 POLYPHOSPHAZENE POLYMERS CONTAINING MONOETHEROXY AND POLYETHEROXY SUBSTITUENTS THE FIRESTONE TIRE & RUBBER COMPANY (US) 1983-02-09 EP disclosed
EP-0049099-A2 Synthetic method and intermediate for piroxicam PFIZER INC. (US) 1982-04-07 EP disclosed
US-4289879-A Synthetic method and intermediate for piroxicam PFIZER INC. (US) 1981-09-15 US disclosed
US-4258173-A Polyphosphazene polymers containing monoetheroxy and polyetheroxy substituents THE FIRESTONE TIRE & RUBBER COMPANY (US) 1981-03-24 US disclosed
EP-0008795-A1 Polyphosphazene polymers containing monoetheroxy and polyetheroxy substituents THE FIRESTONE TIRE & RUBBER COMPANY (US) 1980-03-19 EP disclosed
US-4152356-A SELECTIVE CARBONYLATION OF 9,10-DIHYDROANTHRACENE TO FORM 9-FORMYL-9,10-DIHYDROANTHRACENE EXXON RESEARCH & ENGINEERING CO. (US) 1979-05-01 US disclosed
US-4082810-A STEREOSELECTIVE HYDROGENATING AGENTS ALDRICH-BORANES, INC. (US) 1978-04-04 US disclosed
US-4059615-A INSECTICIDE, POLYMER INTERMEDIATE HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1977-11-22 US disclosed