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 | |
|---|---|---|---|---|
| SCHEMBL2065877 | 0.97 | — | — | |
| Bromide SCHEMBL28516070 | 0.94 | — | — | |
| Iodide SCHEMBL28514467 | 0.94 | — | — | |
| Acetic Acid SCHEMBL320128 | 0.85 | MEN1 (0.33) | — | |
| SCHEMBL28322893 | 0.84 | — | — | |
| SCHEMBL9869570 | 0.82 | — | — | |
| SCHEMBL7645790 | 0.79 | FDPS (0.41) | — | |
| SCHEMBL10644053 | 0.76 | FDPS (0.36) | — | |
| Hydrochloric Acid SCHEMBL28383617 | 0.74 | FDPS (0.46) | — | |
| Water SCHEMBL999492 | 0.73 | — | — |
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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118125467-A | Preparation method and application of Nb-Beta molecular sieve | 中国科学院大连化学物理研究所 | 2024-06-04 | — | — | CN | claimed |
| CN-111825103-B | Fluorine-containing high-silicon Y molecular sieve and preparation method thereof | 中国科学院大连化学物理研究所 | 2022-04-12 | — | — | CN | claimed |
| CN-111825102-B | Dry glue conversion synthesis method of high-silicon Y molecular sieve | 中国科学院大连化学物理研究所 | 2022-03-22 | — | — | CN | claimed |
| CN-111825103-A | Fluorine-containing high-silicon Y molecular sieve and preparation method thereof | 中国科学院大连化学物理研究所 | 2020-10-27 | — | — | CN | claimed |
| CN-111825102-A | Dry glue conversion synthesis method of high-silicon Y molecular sieve | 中国科学院大连化学物理研究所 | 2020-10-27 | — | — | CN | claimed |
| CN-115772252-B | TDI curing agent with low free monomer and good matte property, preparation method and application thereof | 万华化学集团股份有限公司 | 2025-04-01 | — | — | CN | disclosed |
| CN-118125467-A | Preparation method and application of Nb-Beta molecular sieve | 中国科学院大连化学物理研究所 | 2024-06-04 | — | — | CN | disclosed |
| CN-112079979-B | Bio-based pentamethylene diisocyanate curing agent and preparation method and application thereof | 中海油常州涂料化工研究院有限公司 | 2022-08-09 | — | — | CN | disclosed |
| CN-111825103-B | Fluorine-containing high-silicon Y molecular sieve and preparation method thereof | 中国科学院大连化学物理研究所 | 2022-04-12 | — | — | CN | disclosed |
| CN-111825102-B | Dry glue conversion synthesis method of high-silicon Y molecular sieve | 中国科学院大连化学物理研究所 | 2022-03-22 | — | — | CN | disclosed |
| CN-112079979-A | Bio-based pentamethylene diisocyanate curing agent and preparation method and application thereof | 中海油常州涂料化工研究院有限公司 | 2020-12-15 | — | — | CN | disclosed |
| CN-111825102-A | Dry glue conversion synthesis method of high-silicon Y molecular sieve | 中国科学院大连化学物理研究所 | 2020-10-27 | — | — | CN | disclosed |
| WO-2008110604-A1 | POLYISOCYANATE-BASED ADHESIVE | HUNTSMAN INTERNATIONAL LLC (US) | 2008-09-18 | — | — | WO | disclosed |
| WO-2008110602-A1 | POLYISOCYANATE-BASED ADHESIVE | HUNTSMAN INTERNATIONAL LLC (US) | 2008-09-18 | — | — | WO | disclosed |
| EP-1970420-A1 | Polyisocyanate-based adhesive composition | HUNTSMAN INTERNATIONAL LLC (US) | 2008-09-17 | — | — | EP | disclosed |
| US-7405258-B2 | Method for producing polyurethane emulsion for aqueous one-component coating agent | NIPPON POLYURETHANE INDUSTRY CO., LTD. (JP) | 2008-07-29 | — | — | US | disclosed |
| US-20070155894-A1 | Method for producing polyurethane emulsion for aqueous one-component coating agent | NIPPON POLYURETHANE INDUSTRY CO., LTD. | 2007-07-05 | — | — | US | disclosed |
| EP-1721947-A1 | PROCESS FOR PRODUCING POLYURETHANE EMULSION FOR WATER-BASED ONE-PACK TYPE COATING MATERIAL | Nippon Polyurethane Industry Co., Ltd. (JP) | 2006-11-15 | — | — | EP | disclosed |
| US-6596819-B2 | An isocyanate group-terminated prepolymer having isocyanurate group and urethane group, obtained by reacting an organic polyisocyanate containing at least (a1) an aromatic diisocyanate with an active hydrogen group-containing compound | NIPPON POLYURETHANE INDUSTRY CO., LTD. (JP) | 2003-07-22 | — | — | US | disclosed |
| US-20030083451-A1 | Polyisocyanate curing agent for laminate adhesive and process for production thereof | NIPPON POLYURETHANE INDUSTRY CO., LTD. (JP) | 2003-05-01 | — | — | US | disclosed |