SCHEMBL3149451

SCHEMBL3149451

[BH3-]OC.[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
Methoxymethane SCHEMBL28287621 0.62
Methoxymethane SCHEMBL28255990 0.62
Methoxymethane SCHEMBL28199675 0.62
Methoxymethane SCHEMBL16998540 0.57
Methoxymethane SCHEMBL5707121 0.57
Methoxymethane SCHEMBL868 0.57
Methoxymethane SCHEMBL12190176 0.57
SCHEMBL127311 0.54
Methoxymethane SCHEMBL23668283 0.51
Methoxymethane SCHEMBL1347303 0.51

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514833-A Deuterated compound and synthesis method and medical application thereof 南京联智医药科技有限公司 2023-08-01 CN claimed
CN-111732531-B Method for preparing levamlodipine 常州瑞明药业有限公司 2021-04-23 CN claimed
CN-111732531-A Method for preparing levamlodipine 史卫明 2020-10-02 CN claimed
CN-117682985-A Preparation method of betahistine hydrochloride 上海佰利源医药科技有限公司 2024-03-12 CN disclosed
CN-114773422-B Preparation method of cholesterol impurity 湖南科瑞生物制药股份有限公司 2024-01-26 CN disclosed
CN-116514833-A Deuterated compound and synthesis method and medical application thereof 南京联智医药科技有限公司 2023-08-01 CN disclosed
CN-114773422-A Preparation method of cholesterol impurity 湖南科瑞生物制药股份有限公司 2022-07-22 CN disclosed
US-20210206932-A1 ACTIVATION METHOD USING MODIFYING AGENT THE BOEING COMPANY 2021-07-08 US disclosed
CN-111732531-B Method for preparing levamlodipine 常州瑞明药业有限公司 2021-04-23 CN disclosed
US-10888896-B2 Activation method using modifying agent THE BOEING COMPANY (US) 2021-01-12 US disclosed
CN-111732531-A Method for preparing levamlodipine 史卫明 2020-10-02 CN disclosed
US-20080050598-A1 Activation method using modifying agent THE BOEING COMPANY 2008-02-28 US disclosed
EP-1828335-A1 ACTIVATION METHOD USING MODIFYING AGENT COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2007-09-05 EP disclosed
WO-2006086828-A1 ACTIVATION METHOD USING MODIFYING AGENT COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2006-08-24 WO disclosed
EP-0260121-B1 INOSOSE DERIVATIVES, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 1993-03-10 EP disclosed
US-5004838-A Inosose derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-04-02 US disclosed
US-4898986-A Inosose derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-02-06 US disclosed
EP-0260121-A2 Inosose derivatives, production and use thereof Takeda Chemical Industries, Ltd. (JP) 1988-03-16 EP disclosed
US-4092310-A Difluorosteroids and processes for their manufacture CIBA-GEIGY CORPORATION (US) 1978-05-30 US disclosed
US-3950427-A ANTIINFLAMMATORY, ANTIPYRETIC BOEHRINGER INGELHEIM GMBH (DT) 1976-04-13 US disclosed