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 SCHEMBL22031592 | 1.00 | — | — | |
| SCHEMBL50638 | 0.96 | — | — | |
| SCHEMBL9249312 | 0.96 | HIF1A (0.47) | — | |
| SCHEMBL16288075 | 0.92 | — | — | |
| SCHEMBL28238044 | 0.92 | — | — | |
| SCHEMBL16859756 | 0.92 | — | — | |
| SCHEMBL6435115 | 0.92 | — | — | |
| SCHEMBL28222197 | 0.92 | — | — | |
| SCHEMBL29269061 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL3764937 | 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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117986086-A | Method for directly preparing 1, 3-propylene glycol from acrolein in one step | 中海油天津化工研究设计院有限公司 | 2024-05-07 | — | — | CN | disclosed |
| CN-115838652-B | Lactobacillus reuteri LR21 and application thereof | 浙江大学 | 2023-10-13 | — | — | CN | disclosed |
| CN-116262683-A | Preparation method of 1, 3-propylene glycol | 中国科学院大连化学物理研究所 | 2023-06-16 | — | — | CN | disclosed |
| CN-115838652-A | Lactobacillus reuteri LR21 and application thereof | 浙江大学 | 2023-03-24 | — | — | CN | disclosed |
| US-20170233773-A1 | METHOD FOR PRODUCING 3-HYDROXYPROPANAL | VERDANT BIOPRODUCTS LIMITED (GB) | 2017-08-17 | — | — | US | disclosed |
| EP-3183354-A1 | METHOD FOR PRODUCING 3-HYDROXYPROPANAL | Verdant Bioproducts Limited (GB) | 2017-06-28 | — | — | EP | disclosed |
| WO-2016027088-A1 | METHOD FOR PRODUCING 3-HYDROXYPROPANAL | VERDANT BIOPRODUCTS LIMITED (GB) | 2016-02-25 | — | — | WO | disclosed |
| EP-2393861-B1 | MOISTURE-CURABLE SILYLATED POLYMER POSSESSING IMPROVED STORAGE STABILITY | MOMENTIVE PERFORMANCE MAT INC (US) | 2013-10-23 | — | — | EP | disclosed |
| US-8138297-B2 | Moisture-curable silylated polymer possessing improved storage stability | MOMENTIVE PERFORMANCE MATERIALS INC. (US) | 2012-03-20 | — | — | US | disclosed |
| US-20100204384-A1 | Moisture-curable silylated polymer possessing improved storage stability | MOMENTIVE PERFORMANCE MATERIALS INC. | 2010-08-12 | — | — | US | disclosed |
| EP-0310704-A2 | Reactive thixotropic hot-melt adhesive based on silane | Sika AG, vorm. Kaspar Winkler & Co. (CH) | 1989-04-12 | — | — | EP | disclosed |
| EP-0100029-B1 | COATED COMPOUND MATERIAL, PROCESS FOR ITS PRODUCTION AND ITS USE IN THE LINING OF OUTLETS | BAYER AG (DE) | 1986-09-10 | — | — | EP | disclosed |
| US-4521465-A | POLYURETHANE UREA LAMINATION | BAYER AKTIENGESELLSCHAFT (DE) | 1985-06-04 | — | — | US | disclosed |
| EP-0100029-A1 | Coated compound material, process for its production and its use in the lining of outlets | BAYER AG (DE) | 1984-02-08 | — | — | EP | disclosed |