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 SCHEMBL27726108 | 1.00 | HSD17B10 (0.45) | — | |
| Water SCHEMBL3140430 | 0.96 | HSD17B10 (0.43) | — | |
| Hydroxyl Radical SCHEMBL28108301 | 0.95 | — | — | |
| SCHEMBL23448 | 0.95 | — | — | |
| SCHEMBL28418615 | 0.95 | HSD17B10 (0.47) | — | |
| Ethylene SCHEMBL28204288 | 0.92 | HSD17B10 (0.41) | — | |
| Hydrochloric Acid SCHEMBL9464115 | 0.91 | — | — | |
| SCHEMBL17586846 | 0.91 | HSD17B10 (0.45) | — | |
| SCHEMBL1728920 | 0.91 | — | — | |
| SCHEMBL7799602 | 0.91 | HSD17B10 (0.45) | — |
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 410 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118206947-A | Curing method for microwave initiated curing | 万果新材料科技(上海)有限公司 | 2024-06-18 | — | — | CN | claimed |
| CN-115894938-B | Carbon hydroxyl organic silicon polyether copolymer, polyurethane resin and preparation method thereof | 浙江华峰新材料有限公司 | 2024-02-02 | — | — | CN | claimed |
| CN-116904018-A | High-performance laminated glass intermediate polymer film and preparation method thereof | 长春工业大学 | 2023-10-20 | — | — | CN | claimed |
| CN-113956522-B | Preparation method of high-strength polyurethane product | 长春工业大学 | 2023-06-02 | — | — | CN | claimed |
| CN-114149560-B | Wet polyurethane resin and preparation method and application thereof | 福建汇得新材料有限公司 | 2023-05-05 | — | — | CN | claimed |
| CN-115894938-A | Carbon hydroxyl organic silicon polyether copolymer, polyurethane resin and preparation method thereof | 浙江华峰新材料有限公司 | 2023-04-04 | — | — | CN | claimed |
| WO-2022242167-A1 | POLYURETHANE HAVING ANTI-ULTRAVIOLET PERFORMANCE AND PREPARATION METHOD THEREFOR | 福建师范大学泉港石化研究院 | 2022-11-24 | — | — | WO | claimed |
| CN-113789588-A | Degradable melt-spun polyurethane elastic fiber | 华峰化学股份有限公司 | 2021-12-14 | — | — | CN | claimed |
| CN-110591158-B | Modified core-shell type aluminum oxide and polyurethane composite material, and preparation method and application thereof | 浙江华峰新材料有限公司 | 2021-10-08 | — | — | CN | claimed |
| CN-113214637-A | Polyurethane with uvioresistant performance and preparation method thereof | 福建师范大学泉港石化研究院 | 2021-08-06 | — | — | CN | claimed |
| CN-1640258-A | Composition for killing harmful arthorpod with contact killing, stomach toxicity and ovicidal action | SHENGNONG BIOLOG CHEMICAL PROD (CN) | 2005-07-20 | — | — | CN | claimed |
| US-6875514-B2 | Coating composition containing polytrimethylene ether diol useful as a primer composition | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2005-04-05 | — | — | US | claimed |
| WO-2005026268-A2 | BRANCHED POLYMERS AND COATING COMPOSITIONS MADE THEREFROM | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2005-03-24 | — | — | WO | claimed |
| US-20050054767-A1 | Branched polymers and coating compositions made therefrom | AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) | 2005-03-10 | — | — | US | claimed |
| US-20040258923-A1 | Coating composition containing polytrimethylene ether diol useful as a clear coat composition and as a primer composition | AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) | 2004-12-23 | — | — | US | claimed |
| US-20040249061-A1 | Polytrimethylene ether diol containing coating compositions | AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) | 2004-12-09 | — | — | US | claimed |
| WO-2004085507-A1 | COATING COMPOSITION CONTAINING POLYTRIMETHYLENE ETHER DIOL USEFUL AS A CLEAR COAT COMPOSITION AND AS A PRIMER COMPOSITION | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2004-10-07 | — | — | WO | claimed |
| WO-2004085558-A1 | POLYTRIMETHYLENE ETHER DIOL CONTAINING COATING COMPOSITIONS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2004-10-07 | — | — | WO | claimed |
| US-20040185263-A1 | Coating composition containing polytrimethylene ether diol useful as a primer composition | AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) | 2004-09-23 | — | — | US | claimed |
| US-4107256-A | SILICONE SURFACTANT, PREPOLYMERS, CURING | THE FIRESTONE TIRE & RUBBER COMPANY (US) | 1978-08-15 | — | — | US | claimed |