SCHEMBL505620

SCHEMBL505620

O=C1C(Cl)=CC(=Nc2ccc([O-])cc2)C=C1Cl.[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
Water SCHEMBL4107444 0.98
Water SCHEMBL3454309 0.98
SCHEMBL16310730 0.81 ALDH1A1 (0.33)
SCHEMBL107238 0.79 TXNRD1 (0.37)
SCHEMBL505621 0.78 TXNRD1 (0.36)
Water SCHEMBL3454312 0.76 TXNRD1 (0.35)
SCHEMBL5510810 0.75 ALDH1A1 (0.43)
SCHEMBL5530250 0.71 ALDH1A1 (0.45)
SCHEMBL18605938 0.70 MAPT (0.44)
SCHEMBL5518564 0.70 CA12 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118995877-A Ghb drug trace detection test strip, preparation method thereof and kit 杭州泰熙生物技术有限公司 2024-11-22 CN claimed
EP-4179055-A1 COLOR-CHANGE HAND SOAP WITH TWO COLOR CHANGES LYNCH, Evelyn (DE) 2023-05-17 EP claimed
CN-107014806-B A kind of Test paper of urine tyrosine 汉宇集团股份有限公司 2019-05-31 CN claimed
CN-107014806-A A kind of Test paper of urine tyrosine 江门市地尔汉宇电器股份有限公司 2017-08-04 CN claimed
CN-106189499-A A kind of preparation method of pen easily erasing type ink 雷春生 2016-12-07 CN claimed
CN-101126082-A Extraction method for acetylcholinesterase and application thereof UNIV HUAZHONG AGRICULTURAL (CN) 2008-02-20 CN claimed
CN-1272629-C Vc quick investigating tablet STATE AQUATIC PRODUCT QUALITY (CN) 2006-08-30 CN claimed
EP-4081215-B1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE OHIO STATE INNOVATION FOUNDATION (US) 2026-05-20 EP disclosed
EP-4740007-A1 ORGANIC ELECTROCHEMICAL SENSOR WITH MUTUALIZED ELECTRODES AND METHOD FOR MEASURING Omini (FR) 2026-05-13 EP disclosed
US-12625082-B2 Optical detection chip and optical detection system THE UNIVERSITY OF KITAKYUSHU (JP) 2026-05-12 US disclosed
EP-4048248-B1 COMPOUNDS FOR USE (IN PARTICULAR RIPA-56) IN THE PREVENTION AND/OR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE UNIV SORBONNE (FR) 2026-02-11 EP disclosed
US-12540118-B2 Dendrene amide compound, bactericide and use thereof JIANGSU FLAG CHEMICAL INDUSTRY CO., LTD. (CN) 2026-02-03 US disclosed
US-20250388602-A1 Tetrahydropyranopyrazole Derivatives for the Treatment of Cancer and Viral Infections GENASE THERAPEUTICS B V (NL) 2025-12-25 US disclosed
US-4734282-A Rodenticidal compositions containing 1,4-naphthoquinone derivatives DUKE UNIVERSITY (US) 1988-03-29 US disclosed
EP-0244309-A2 Rodenticidal compositions containing 1,4-naphthoquinone derivatives DUKE UNIVERSITY (US) 1987-11-04 EP disclosed
US-4388271-A DETECTION OF BLOOD IN BODY EXCRETIONS ROHM GMBH (DE) 1983-06-14 US disclosed
US-4300905-A USING A 2,18-PHOSPHOMOLYBDIC ACID CARRIER, ACID BUFFER AND AN ALKALI CHLORATE BOEHRINGER MANNHEIM GMBH (DE) 1981-11-17 US disclosed
US-4148880-A ANIMAL GROWTH PROMOTANTS PFIZER INC. (US) 1979-04-10 US disclosed
US-4042329-A Method and device for detecting cholesterol BECTON, DICKINSON AND COMPANY (US) 1977-08-16 US disclosed
US-4038383-A MIXTURE OF ANTIBIOTICS PRODUCED BY A SPECIES OF ACTINOPLANES PFIZER INC. (US) 1977-07-26 US disclosed