SCHEMBL7445801

SCHEMBL7445801

[Na+].[O-]CCCCO

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
SCHEMBL30497973 0.96
SCHEMBL2178260 0.96 LMNA (0.42)
SCHEMBL30497980 0.96 LMNA (0.42)
SCHEMBL30497974 0.96
Lithium Ion SCHEMBL30497970 0.92
SCHEMBL28574121 0.89 LMNA (0.42)
Lithium Ion SCHEMBL30497964 0.89 LMNA (0.42)
SCHEMBL28581463 0.89 LMNA (0.42)
Lithium Ion SCHEMBL30497983 0.89
Potassium Ion SCHEMBL30497961 0.89 LMNA (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4201973-A1 PREPOLYMER COMPRISING A POLYOXYMETHYLENE BLOCK AND METHOD FOR PRODUCING THE SAME Covestro Deutschland AG (DE) 2023-06-28 EP claimed
CN-103787988-B The preparation method of butalbital SHANDONG XINHUA PHARMACEUTICAL CO., LTD. (CN) 2015-10-28 CN claimed
CN-102485726-B Method for preparing 1-R-1'-spiro-(piperidine-4,4'-quinoline)-2'(3'-hydrogen) ketone WUXI APPTEC CO LTD 2015-07-01 CN claimed
CN-104003944-A Preparation method of mepanipyrim UNIV NORTHWEST NORMAL 2014-08-27 CN claimed
CN-103787988-A Preparation method of butalbital SHANDONG XINHUA PHARMACEUTICAL 2014-05-14 CN claimed
CN-102485726-A Method for preparing 1-R-1'-spiro-(piperidine-4,4'-quinoline)-2'(3'-hydrogen)ketone WUXI APPTEC CO LTD 2012-06-06 CN claimed
CN-102060784-A Method for synthesizing 6-ethyl-5-fluoro-4-hydroxy pyrimidine and intermediate thereof NANTONG FINC PHARMACEUTICAL CHEMICAL CO LTD 2011-05-18 CN claimed
CN-101190894-A Fatty acid synthetic enzyme inhibitor and medical preparation use thereof POISON MED INST PLA MED ACAD (CN) 2008-06-04 CN claimed
CN-1850758-A Mitotane intermediate preparing method ZHEJIANG SUBOER PHARMACEUTICAL (CN) 2006-10-25 CN claimed
CN-1176094-C Synthesis of trichlorosucrose 广东省食品工业研究所 2004-11-17 CN claimed
CN-1453284-A Synthesis of trichlorosucrose GUANGDONG PROV INST OF FOOD IN (CN) 2003-11-05 CN claimed
EP-4201973-A1 PREPOLYMER COMPRISING A POLYOXYMETHYLENE BLOCK AND METHOD FOR PRODUCING THE SAME Covestro Deutschland AG (DE) 2023-06-28 EP disclosed
US-20230183165-A1 HIGHLY UNSATURATED FATTY ACID OR HIGHLY UNSATURATED FATTY ACID ETHYL ESTER WITH REDUCED ENVIRONMENTAL POLLUTANTS, AND METHOD FOR PRODUCING SAME NISSUI CORPORATION (JP) 2023-06-15 US disclosed
US-11603347-B2 Highly unsaturated fatty acid or highly unsaturated fatty acid ethyl ester with reduced environmental pollutants, and method for producing same NIPPON SUISAN KAISHA, LTD. (JP) 2023-03-14 US disclosed
EP-3971165-A1 HIGHLY UNSATURATED FATTY ACID OR HIGHLY UNSATURATED FATTY ACID ETHYL ESTER WITH REDUCED ENVIRONMENTAL POLLUTANTS, AND METHOD FOR PRODUCING SAME NIPPON SUISAN KAISHA, LTD. (JP) 2022-03-23 EP disclosed
US-4155929-A Process for the preparation of an acetonitrile derivative LABAZ (FR) 1979-05-22 US disclosed
US-4154956-A REACTING A-AMINO-E-CAPROLACTAM WITH AN ALCOHOL AND AN ACID CATALYST, SALT FORMATION, DECYCLIZATION, ESTERIFICATION TORAY INDUSTRIES, INC. (JP) 1979-05-15 US disclosed
US-4127604-A Process for the preparation of acetic acid derivatives LABAZ (FR) 1978-11-28 US disclosed
US-4107179-A Method for preparing ticrynafen SMITHKLINE CORPORATION (US) 1978-08-15 US disclosed
US-3948820-A Curable polyphosphazene copolymers and terpolymers HORIZONS INCORPORATED (US) 1976-04-06 US disclosed