Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Water SCHEMBL733960 | 1.00 | — | — | |
| Water SCHEMBL11226840 | 1.00 | — | — | |
| Fluoride SCHEMBL8671306 | 0.87 | — | — | |
| Fluoride Ion SCHEMBL779 | 0.82 | — | — | |
| Fluoride Ion SCHEMBL1943306 | 0.82 | — | — | |
| Water SCHEMBL23118087 | 0.67 | — | — | |
| Water SCHEMBL11364888 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL9496122 | 0.67 | — | — | |
| Water SCHEMBL25293755 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL6756047 | 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 468 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119504566-B | Preparation method of bisacodyl | 广州市桐晖药业有限公司 | 2025-04-25 | — | — | CN | claimed |
| US-20250101151-A1 | HYDROCARBON RESIN POLYMER AND MANUFACTURING METHOD THEREOF AND SUBSTRATE STRUCTURE | LCY Chemical Corp. (TW) | 2025-03-27 | — | — | US | claimed |
| EP-4527617-A1 | HYDROCARBON RESIN POLYMER AND MANUFACTURING METHOD THEREOF AND SUBSTRATE STRUCTURE | LCY Chemical Corp. (TW) | 2025-03-26 | — | — | EP | claimed |
| CN-119684501-A | Hydrocarbon resin polymer and manufacturing method thereof and substrate structure | 李长荣化学工业股份有限公司 | 2025-03-25 | — | — | CN | claimed |
| CN-119504566-A | Preparation method of bisacodyl | 广州市桐晖药业有限公司 | 2025-02-25 | — | — | CN | claimed |
| WO-2024261413-A1 | METHOD FOR PRODUCING HIGH-PURITY BORON TRIFLUORIDE | ARKEMA FRANCE (FR) | 2024-12-26 | — | — | WO | claimed |
| EP-4452854-A1 | METHOD FOR PRODUCING HIGH-PURITY BORON TRIFLUORIDE | ARKEMA FRANCE (FR) | 2024-10-30 | — | — | EP | claimed |
| CN-118434686-A | Method for producing high-purity boron trifluoride | 阿科玛法国公司 | 2024-08-02 | — | — | CN | claimed |
| WO-2023118676-A1 | METHOD FOR PRODUCING HIGH-PURITY BORON TRIFLUORIDE | ARKEMA FRANCE (FR) | 2023-06-29 | — | — | WO | claimed |
| WO-2023116193-A1 | METHOD FOR PREPARING ANTIBACTERIAL ANTIOXIDANT AND USE THEREOF | 江南大学 | 2023-06-29 | — | — | WO | claimed |
| US-4681927-A | TRIOXANE, CYCLIC ETHER OR FORMAL, CATALYST, MULTISTAGE | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1987-07-21 | — | — | US | claimed |
| EP-0097218-B1 | PHOTOASSISTED GENERATION OF HYDROGEN FROM WATER | International Business Machines Corporation (US) | 1986-10-08 | — | — | EP | claimed |
| US-4602107-A | DEESTERIFICATION AND CARBOXYLATION | KAO CORPORATION (JP) | 1986-07-22 | — | — | US | claimed |
| US-4585893-A | Process for producing 4-homoisotwistane-3-carboxylic acid | KAO CORPORATION (JP) | 1986-04-29 | — | — | US | claimed |
| US-H53-H | Processes for producing herbicide intermediates | FMC CORPORATION (US) | 1986-04-01 | — | — | US | claimed |
| EP-0097218-A1 | Photoassisted generation of hydrogen from water | International Business Machines Corporation (US) | 1984-01-04 | — | — | EP | claimed |
| US-4379740-A | Photoassisted generation of hydrogen from water | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 1983-04-12 | — | — | US | claimed |
| US-4339569-A | BULK POLYMERIZATION, BORON TRIFLUORIDE CATALYSTS | MITSUBISHI GAS CHEMICAL CO., INC. (JP) | 1982-07-13 | — | — | US | claimed |
| US-4087411-A | TRIOXANE, BORON FLUORIDE-TYPE CATALYST | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JA) | 1978-05-02 | — | — | US | claimed |
| US-4002577-A | BORON TRIFLUORIDE, OLEFINS OR ALCOHOLS WITH CARBON MONOXIDE TO FORM CARBOXYLIC ACIDS | TOA NENRYO KOGYO KABUSHIKI KAISHA (JA) | 1977-01-11 | — | — | US | claimed |