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 SCHEMBL10942482 | 1.00 | ALDH1A1 (0.47) | — | |
| SCHEMBL38702 | 0.96 | — | — | |
| Iodide SCHEMBL23540725 | 0.92 | — | — | |
| SCHEMBL28059549 | 0.92 | — | — | |
| SCHEMBL27869719 | 0.92 | — | — | |
| Acetone SCHEMBL8491952 | 0.92 | LMNA (0.50) | — | |
| Hydrochloric Acid SCHEMBL1027951 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL4948046 | 0.92 | ALDH1A1 (0.47) | — | |
| Bromide SCHEMBL9286855 | 0.92 | — | — | |
| Methylene Chloride SCHEMBL3744932 | 0.89 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109686664-A | A kind of minimizing technology of photoresist removal liquid and photoresist containing tetra-alkyl ammonium hydroxide | 无锡华瑛微电子技术有限公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-109388036-A | A kind of minimizing technology for removing liquid and photoresist of photoresist | 无锡华瑛微电子技术有限公司 | 2019-02-26 | — | — | CN | disclosed |
| WO-2008111020-A2 | MACROLIDE DERIVATIVES AS ANTIBACTERIAL AGENTS | RANBAXY LABORATORIES LIMITED (IN) | 2008-09-18 | — | — | WO | disclosed |
| US-5912235-A | 10, 13, 15-trioxatricyclo 9.2.1.1.9.6 !-pentadecan one derivatives, method for their production and pharmaceutical compositions containing them | SOLVAY PHARMACEUTICALS GMBH (DE) | 1999-06-15 | — | — | US | disclosed |
| WO-1997045109-A1 | PROCESS OF PREPARING 2,2'-(1-METHYL-1,2-ETHANEDIYLIDENE)BIS[HYDRAZINE CARBOXIMIDAMIDE] | SANOFI (FR) | 1997-12-04 | — | — | WO | disclosed |
| WO-1997045110-A1 | PROCESS OF PREPARING 2,2'-(1-METHYL-1,2-ETHANEDIYLIDENE)BIS[HYDRAZINE CARBOXIMIDAMIDE] | SANOFI (FR) | 1997-12-04 | — | — | WO | disclosed |
| US-5693673-A | REACTING THE HYDROCHLORIDE SALT OF AMINOGUANIDINE WITH METHYL GLYOXAL ALDEHYDE OR THE DIACETAL; SIDE EFFECT REDUCTION; ANTITUMOR AND -CARCINOGENIC AGENTS; S-ADENYLMETHIONINE DECARBOXYLASE INHIBITORS | SANOFI | 1997-12-02 | — | — | US | disclosed |
| US-5659083-A | REACTING AMINOBICARBONATE WITH METHYLGLYOXAL DIMETHYL ACETAL IN AQUEOUS ISOPROPANOL MEDIUM | SANOFI (FR) | 1997-08-19 | — | — | US | disclosed |
| EP-0782984-A2 | Process of preparing 2-2'-(1-Methyl-1,2-Ethanediylidene) bis (Hydrazine carboximidamide) | SANOFI (FR) | 1997-07-09 | — | — | EP | disclosed |
| EP-0782983-A2 | Process of preparing 2,2'-(1-Methyl-1,2-Ethanediylidene) bis (Hydrazine carboximidamide) | SANOFI (FR) | 1997-07-09 | — | — | EP | disclosed |
| US-5418224-A | Antibiotic | KALI-CHEMIE PHARMA GMBH (DE) | 1995-05-23 | — | — | US | disclosed |