SCHEMBL163019

SCHEMBL163019

[C-]#[C-].[Na+].[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
SCHEMBL3320796 1.00
SCHEMBL7714931 0.67
SCHEMBL38137 0.67
SCHEMBL5878586 0.67
SCHEMBL2892165 0.67
SCHEMBL2481392 0.67
SCHEMBL3316570 0.67
Lithium Ion SCHEMBL263443 0.67
SCHEMBL3896298 0.67
SCHEMBL5878685 0.67

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 1408 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250323276-A1 NEGATIVE ELECTRODE ACTIVE MATERIAL, PREPARATION METHOD THEREOF, AND RECHARGEABLE LITHIUM BATTERIES SAMSUNG SDI CO., LTD. (KR) 2025-10-16 US claimed
CN-119706892-A Method for preparing low-sulfur low-sodium battery-grade lithium carbonate by freezing semi-carbonization process in one step 江苏容汇通用锂业股份有限公司 2025-03-28 CN claimed
CN-118771947-A HMX/layered hydroxide composite and preparation method and application thereof 中国万宝工程有限公司 2024-10-15 CN claimed
CN-118771946-A ADN/layered hydroxide composite, preparation method and application thereof 中国万宝工程有限公司 2024-10-15 CN claimed
CN-118754791-A AP/layered hydroxide composite, preparation method and application thereof 中国万宝工程有限公司 2024-10-11 CN claimed
CN-118702532-A CL-20/layered hydroxide compound, preparation method and application thereof 中国万宝工程有限公司 2024-09-27 CN claimed
CN-221535484-U Emergency oxygen generator for automobile water escape 无锡卫生高等职业技术学校 2024-08-16 CN claimed
CN-221551639-U High anti-seismic assembly and oil immersed transformer 江苏力威电气(集团)有限公司 2024-08-16 CN claimed
CN-118405962-A Adsorption separation method for high-carbon-number dihydric alcohol in ethylene glycol 广西科技大学 2024-07-30 CN claimed
CN-118359413-A Preparation method of tailing composite rock plate capable of preventing warping deformation 海安荷力泰蜂窝技术开发有限公司 2024-07-19 CN claimed
WO-1994008931-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF SUBSTITUTED 2-PHENYL-5-(3-PHENOXYPHENYL)-1,1,1-TRIFLUOROPENTANES SCHERING AKTIENGESELLSCHAFT (DE) 1994-04-28 WO claimed
US-5292893-A Catalytic asymmetric and non-asymmetric reduction of times and oximes using metal catalysts MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1994-03-08 US claimed
EP-0558656-A1 NEW METHODS FOR THE CATALYTIC REDUCTION OF ORGANIC SUBSTRATES. MASSACHUSETTS INST TECHNOLOGY (US) 1993-09-08 EP claimed
WO-1992009545-A2 NEW METHODS FOR THE CATALYTIC REDUCTION OF ORGANIC SUBSTRATES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1992-06-11 WO claimed
US-4867917-A ACETYLATION UNITED STATES OF AMERICA, THE, AS REPRESENTED BY THE SECRETARY OF THE NAVY 1989-09-19 US claimed
US-4588832-A Method for the preparation of a 1-alkynylsilyl compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 1986-05-13 US claimed
US-4467102-A RACEMIC MODIFICATION WITH BRUCINE UBE INDUSTRIES, LTD. (JP) 1984-08-21 US claimed
US-4057543-A Process for the preparation of 17β-hydroxy-3-oxo-17α-pregn-4-ene-21-carboxylic acid γ-lactone G. D. SEARLE & CO. (US) 1977-11-08 US claimed
US-4011271-A ETHYNYL CARBINOLS HOFFMANN-LA ROCHE INC. (US) 1977-03-08 US claimed
US-3950446-A Process for producing ethynylating agents HOFFMANN-LA ROCHE INC. (US) 1976-04-13 US claimed