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 SCHEMBL5496503 | 0.96 | ALDH1A1 (0.44) | — | |
| Hydroxyamine SCHEMBL27483582 | 0.96 | — | — | |
| SCHEMBL54903 | 0.96 | — | — | |
| SCHEMBL362926 | 0.96 | — | — | |
| SCHEMBL5036885 | 0.96 | ALDH1A1 (0.50) | — | |
| SCHEMBL9387 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL11081542 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL16619615 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL3270812 | 0.92 | — | — | |
| Methyl Alcohol SCHEMBL465774 | 0.92 | — | — |
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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0330966-A2 | Process for the preparation of polyisocyanates containing isocyanurate groups | BAYER AG (DE) | 1989-09-06 | — | — | EP | claimed |
| CN-118715596-A | Composition, and method for manufacturing and etching semiconductor substrate using same | 三菱瓦斯化学株式会社 | 2024-09-27 | — | — | CN | disclosed |
| CN-118369621-A | Method for stripping resin mask | 花王株式会社 | 2024-07-19 | — | — | CN | disclosed |
| CN-111566567-B | Cleaning agent composition for stripping resin mask | 花王株式会社 | 2024-07-12 | — | — | CN | disclosed |
| CN-118202306-A | Method for producing printed wiring board, method for stripping resist, and resist stripping pretreatment liquid used for the methods | 三菱瓦斯化学株式会社 | 2024-06-14 | — | — | CN | disclosed |
| EP-4355820-A1 | METHOD FOR CLEAVING POLYURETHANE PRODUCTS | Covestro Deutschland AG (DE) | 2024-04-24 | — | — | EP | disclosed |
| CN-116648499-A | Cleaning agent composition for stripping resin mask | 花王株式会社 | 2023-08-25 | — | — | CN | disclosed |
| CN-116033975-A | Cleaning agent composition for soldering flux | 花王株式会社 | 2023-04-28 | — | — | CN | disclosed |
| CN-116018397-A | Method for cleaning substrate | 花王株式会社 | 2023-04-25 | — | — | CN | disclosed |
| WO-2022263336-A1 | METHOD FOR CLEAVING POLYURETHANE PRODUCTS | COVESTRO DEUTSCHLAND AG (DE) | 2022-12-22 | — | — | WO | disclosed |
| US-4569998-A | HYPOTENSIVE AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1986-02-11 | — | — | US | disclosed |
| EP-0162690-A2 | 2-oxa-spirocyclic-benzeneacetamides and benzamides | THE UPJOHN COMPANY (US) | 1985-11-27 | — | — | EP | disclosed |
| US-4521537-A | ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1985-06-04 | — | — | US | disclosed |
| US-4472580-A | Spiro (2H-1,4-benzodioxepin-3 (5H)4-piperidine and -3-pyrrolidine) compounds and their use as anti-hypertensive agents | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1984-09-18 | — | — | US | disclosed |
| EP-0102034-A1 | Spiro(2H-1,4-benzodioxepin-3(5H)4'-piperidine and 3'-pyrrolidino) compounds, a process for preparing the same and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1984-03-07 | — | — | EP | disclosed |
| US-4405631-A | Spiro[2H-1,4-benzodioxepin-3(5H)4'-piperidine and -3'pyrrolidine] compounds and their use as antihypertensive agents | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1983-09-20 | — | — | US | disclosed |
| US-4199570-A | AZETIDINE, PYRROLIDINE, OR PIPERIDINE | SHIONOGI & CO., LTD. (JP) | 1980-04-22 | — | — | US | disclosed |
| US-4154821-A | BIOSYNTHESIS; ANTIINFLAMMATORY AGENTS AND IMMUNOSTIMULATING AGENTS | ROUSSEL UCLAF (FR) | 1979-05-15 | — | — | US | disclosed |
| EP-0001280-A2 | 1-N-acylated-4-O-glycosyl-6-O-glycosyl-1,3-diaminocyclitol derivatives, process for their preparation and pharmaceutical compositions containing them | SHIONOGI & CO., LTD. (JP) | 1979-04-04 | — | — | EP | disclosed |
| US-4053591-A | 5-DEOXY-4,6-DI-O-(AMINOGLYCOSYL)-1,3-DIAMINOCYCLITOLS, METHODS FOR THEIR MANUFACTURE, METHOD FOR THEIR USE AS ANTIBACTERIAL AGENTS AND COMPOSITIONS USEFUL THEREFOR | SCHERING CORPORATION (US) | 1977-10-11 | — | — | US | disclosed |